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CAS 2101626-26-8 GSK2894631A molecular structure lightbox
CAS RN: 2101626-26-8

GSK2894631A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2101626-26-8
  • Purity/Analytical Methods: >99.0%
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2101626-26-8 / 7-(difluoromethoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

Standard CAS: 2101626-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2101626-26-8
Multi CAS
No
Molecular Formula
C20H24F2N2O3
Molecular Weight
378.400000
Exact Mass
378.175499
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

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
97.89
TPSA
71.45

LogP / Solubility

WLOGP
3.9
MLOGP
3.45
XLogP3
3.8
Consensus LogP
3.72
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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