CAS RN: 950688-14-9
Timapiprant sodium
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.20260305 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS950688-14-9
- Purity/Analytical Methods: >99.0%
950688-14-9 / sodium 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetate
Basic Information
CAS
950688-14-9
Multi CAS
Yes
Molecular Formula
C21H16FN2NAO2
Molecular Weight
370.400000
Exact Mass
370.109350
InChI
InChI=1S/C21H17FN2O2.Na/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26;/h2-10H,11-12H2,1H3,(H,25,26);/q;+1/p-1
InChIKey
XKRNYIKRDAGPQZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
96.19
TPSA
57.95
LogP / Solubility
WLOGP
-0.02
XLogP3
-0.02
Consensus LogP
-0.01
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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