Benzophenone-2

CAT: 0804-HY-W036120-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0804-HY-W036120-02Size:50 g

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Description

Benzophenone-2 (2,2',4,4'-Tetrahydroxybenzophenone) is an endocrine disruptor targeting pregnane X receptor (PXR) and estrogen receptor α (ERα) . Benzophenone-2 regulates cytochrome P450 3A (CYP3A) expression by activating PXR. Benzophenone-2 is promising for research of UV filters[1][2].

CAS Number

131-55-5

Product Name Alternative

2,2′,4,4′-Tetrahydroxybenzophenone

UNSPSC

12352005

Hazard Statement

H302, H317, H319

Target

Estrogen Receptor/ERR; Pregnane X Receptor (PXR)

Related Pathways

Vitamin D Related/Nuclear Receptor

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Others

Purity

99.68

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(C1=CC=C(O)C=C1O)C2=CC=C(O)C=C2O

Molecular Formula

C13H10O5

Molecular Weight

246.22

Precautions

H302, H317, H319

References & Citations

[1]Hu X, et al. Evaluation of polyhydroxybenzophenones as α-glucosidase inhibitors. Arch Pharm (Weinheim) . 2011 Feb;344 (2) :71-7.|[2]Casiano-Muñiz IM, et al. UV filter benzophenone-2: Effects on zebrafish (Danio rerio) cytochrome P450. Aquat Toxicol. 2024 Aug;273:106973.

Shipping Conditions

Room Temperature

Storage Conditions

RT, stored under nitrogen

Scientific Category

Reference compound2

Clinical Information

No Development Reported

Chemical Information

2,2',4,4'-Tetrahydroxybenzophenone

CAS Number	131-55-5
PubChem CID	8571
IUPAC Name	bis(2,4-dihydroxyphenyl)methanone
Molecular Formula	C13H10O5
Molecular Weight	246.21
XLogP	2.4
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	278

SMILES

C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H

InChIKey

WXNRYSGJLQFHBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131-55-5

CID: 8571

Formula: C13H10O5

MW: 246.21

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	246.21
XLogP3	2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	246.05282342
Monoisotopic Mass	246.05282342
Topological Polar Surface Area	98 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	278
Isotope Atom Count	0
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

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Catalog	Name
T211476-01	Benzophenone-2
PC7568-01	2- (Trifluoromethyl) benzophenone
006500-01	2-Amino Benzophenone
abx181621-01	2-(Trifluoromethyl)benzophenone
sc-259281	2- (Dicyclohexylphosphino) benzophenone
CS-O-31144	Benzophenone

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Chemical Information

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