HPGDS inhibitor 2 5mg

CAT: 0628-A18390-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A18390-5Size:5 mg

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

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CAS Number

2101626-26-8

Chemical Information

HPGDS inhibitor 2

CAS Number	2101626-26-8
PubChem CID	129247606
IUPAC Name	7-(difluoromethoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
Molecular Formula	C20H24F2N2O3
Molecular Weight	378.4
XLogP	3.8
Topological Polar Surface Area	71.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	509

SMILES

CC(C)(C1CCC(CC1)NC(=O)C2=CN=C3C=C(C=CC3=C2)OC(F)F)O

InChI

InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)

InChIKey

YRWMWDLEUYLURJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2101626-26-8

CID: 129247606

Formula: C20H24F2N2O3

MW: 378.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.4
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	378.17549896
Monoisotopic Mass	378.17549896
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	509
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