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CAS 1923851-49-3 GSK9311 molecular structure lightbox
CAS RN: 1923851-49-3

GSK9311

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Batchno.20260226 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1923851-49-3
  • Purity/Analytical Methods: >99.0%
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1923851-49-3 / N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-N-ethyl-2-methoxybenzamide

Standard CAS: 1923851-49-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1923851-49-3
Multi CAS
No
Molecular Formula
C24H31N5O3
Molecular Weight
437.500000
Exact Mass
437.242690
SMILES
CCN(C1=C(C=C2C(=C1)N(C(=O)N2C)C)N3CCNC[C@H]3C)C(=O)C4=CC=CC=C4OC
InChI
InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1
InChIKey
WFXIHQFRQPGCCR-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
128.18
TPSA
71.74

LogP / Solubility

WLOGP
2.35
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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