CAS RN: 865231-45-4
AMG 837 (sodiuM salt)
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.20250405 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS865231-45-4
- Purity/Analytical Methods: >99.0%
865231-45-4 / sodium (3S)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]hex-4-ynoate
Basic Information
CAS
865231-45-4
Multi CAS
Yes
Molecular Formula
C26H20F3NAO3
Molecular Weight
460.400000
Exact Mass
460.126223
InChI
InChI=1S/C26H21F3O3.Na/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29;/h3,5-15,21H,16-17H2,1H3,(H,30,31);/q;+1/p-1/t21-;/m0./s1
InChIKey
CRTDAZVPDCRYKT-BOXHHOBZSA-M
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
113.47
TPSA
49.36
LogP / Solubility
WLOGP
2.2
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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