ZQ-16

CAT: 0607-BA5383-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA5383-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

376616-73-8

Form

A solid

Molecular Formula

C10H16N2O2S

Molecular Weight

228.31

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(Hexylthio)pyrimidine-4,6-diol

a GPR84 agonist; structure in first source

CAS Number	376616-73-8
PubChem CID	1912564
IUPAC Name	2-hexylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Molecular Formula	C10H16N2O2S
Molecular Weight	228.31
XLogP	2.4
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	287

SMILES

CCCCCCSC1=NC(=CC(=O)N1)O

InChI

InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)

InChIKey

UYXOAKRMLQKLQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 376616-73-8

CID: 1912564

Formula: C10H16N2O2S

MW: 228.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.31
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	228.09324893
Monoisotopic Mass	228.09324893
Topological Polar Surface Area	87 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	287
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

Catalog	Name
T36634-01	ZQ-16
MBS5797728	ZQ 16
HY-W008625S-01	1-Bromohexadecane-16,16,16-d3
sc-301520	Palmitic acid-16,16,16-d3
S673284	Sodium Hexadecanoate-16,16,16-d3
MBS393784-01	Hexadecanoic-16,16,16-D3 Acid
T808141	Glyceryl Tri(hexadecanoate-16,16,16-d3)
H293821	n-Hexadecyl-16,16,16-d3 Alcohol
CS-SN-00091	Exemestane-16,16-D2
EL10021	Interleukin-16 (IL-16)