HC-030031 10mg

CAT: 0628-A13278-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A13278-10Size:10 mg

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CAS Number

349085-38-7

Chemical Information

HC-030031

HC-030031 is an organic molecular entity. It has a role as a TRP channel modulator.

CAS Number	349085-38-7
PubChem CID	1150897
IUPAC Name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
Molecular Formula	C18H21N5O3
Molecular Weight	355.4
XLogP	1.7
Topological Polar Surface Area	87.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	573

SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)

InChIKey

HEQDZPHDVAOBLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 349085-38-7

CID: 1150897

Formula: C18H21N5O3

MW: 355.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.4
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	355.16443955
Monoisotopic Mass	355.16443955
Topological Polar Surface Area	87.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	573
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
MBS6109373-01	HC 030031
C08966-50mg	HC-030031