CAS RN: 887375-15-7
(S)-BOL-303242X)
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.20260219 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS887375-15-7
- Purity/Analytical Methods: >99.0%
887375-15-7 / 1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
Basic Information
CAS
887375-15-7
Multi CAS
Yes
Molecular Formula
C25F4H26N2O2
Molecular Weight
462.500000
Exact Mass
462.193041
InChI
InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3
InChIKey
VJGFOYBQOIPQFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
119.22
TPSA
54.38
LogP / Solubility
WLOGP
5.69
MLOGP
5.04
XLogP3
6.2
Consensus LogP
5.64
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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