CAS RN: 95853-92-2
CGS 15435
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS95853-92-2
- Purity/Analytical Methods: >99.0%
95853-92-2 / 6-(5-chloro-1-methyl-2-pyridin-3-ylindol-3-yl)hexanoic acid
Basic Information
CAS
95853-92-2
Multi CAS
Yes
Molecular Formula
C20H21CLN2O2
Molecular Weight
356.800000
Exact Mass
356.129156
InChI
InChI=1S/C20H21ClN2O2/c1-23-18-10-9-15(21)12-17(18)16(7-3-2-4-8-19(24)25)20(23)14-6-5-11-22-13-14/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,25)
InChIKey
BYQANTGKEVLUKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
100.97
TPSA
55.12
LogP / Solubility
WLOGP
5.08
MLOGP
4.49
XLogP3
4.4
Consensus LogP
4.66
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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