CAS RN: 929095-23-8
GSK 461364 analogue I
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251218 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS929095-23-8
- Purity/Analytical Methods: >99.0%
929095-23-8 / 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide
Basic Information
CAS
929095-23-8
Multi CAS
Yes
Molecular Formula
C26H27CLN4O3S
Molecular Weight
511.000000
Exact Mass
510.149240
InChI
InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1
InChIKey
GILNGUYOGYOZMP-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
20
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
139.11
TPSA
82.61
LogP / Solubility
WLOGP
5.45
MLOGP
4.84
XLogP3
5.4
Consensus LogP
5.23
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4
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