4-Hydroxybenzoic acid-d4

CAT: 0804-HY-Y0264S1-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0804-HY-Y0264S1-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

4-Hydroxybenzoic acid-d4 is the deuterium labeled 4-Hydroxybenzoic acid. 4-Hydroxybenzoic acid, a phenolic derivative of benzoic acid, could inhibit most gram-positive and some gram-negative bacteria, with an IC50 of 160 μg/mL.

CAS Number

152404-47-2

UNSPSC

12352005

Hazard Statement

H318, H335

Target

Bacterial; Endogenous Metabolite

Type

Isotope-Labeled Compounds

Related Pathways

Anti-infection; Metabolic Enzyme/Protease

Field of Research

Infection

Purity

99.97

Solubility

DMSO : 100 mg/mL (ultrasonic) |H2O : 1.2mg/mL (ultrasonic)

Smiles

O=C(O)C1=C([2H])C([2H])=C(O)C([2H])=C1[2H]

Molecular Formula

C7H2D4O3

Molecular Weight

142.15

Precautions

H318, H335

References & Citations

[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Cho JY, Antimicrobial activity of 4-hydroxybenzoic acid and trans 4-hydroxycinnamic acid isolated and identified from rice hull. Biosci Biotechnol Biochem. 1998 Nov;62 (11) :2273-6.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

4-Hydroxybenzoic-2,3,5,6-d4 acid

CAS Number	152404-47-2
PubChem CID	44540358
IUPAC Name	2,3,5,6-tetradeuterio-4-hydroxybenzoic acid
Molecular Formula	C7H6O3
Molecular Weight	142.14
XLogP	1.6
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	125

SMILES

[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])O)[2H]

InChI

InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i1D,2D,3D,4D

InChIKey

FJKROLUGYXJWQN-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 152404-47-2

CID: 44540358

Formula: C7H6O3

MW: 142.14

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	142.14
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	142.056801033
Monoisotopic Mass	142.056801033
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-W004049S	3-Hydroxybenzoic acid-d4
HY-W143238S	4-Hydroxybenzoic acid n-nonyl ester-d4
HY-Y0264-01	4-Hydroxybenzoic acid
HY-Y0264S2-01	4-Hydroxybenzoic acid-13c
HY-Y0264R-01	4-Hydroxybenzoic acid (Standard)
HY-Y0264S-01	4-Hydroxybenzoic acid-13C6
HY-W003445-01	4-Bromo-3-hydroxybenzoic acid
HY-W008186-01	4-Fluoro-2-hydroxybenzoic acid
HY-W002114-01	4-Amino-3-hydroxybenzoic acid
HY-W010224-01	3-Amino-4-hydroxybenzoic acid

Alternative Products

Catalog	Name
T203718-01	4-Hydroxybenzoic acid-d4
RM-S376584-01	2-Hydroxybenzoic Acid-D4
S0058-20	Salicylic Acid-d4 (2-Hydroxybenzoic Acid-d4)
CS-T-55766	4-Hydroxybenzoic-2,3,5,6-d4 Acid
B7870-500	4-Hydroxybenzoic acid

4-Hydroxybenzoic acid-d4

Chemical Information

Related Products

Alternative Products

Popular Products