CAS RN: 950225-08-8
TTP-8307
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251105 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260615 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250302 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260421 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260627 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250606 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250707 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260313 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS950225-08-8
- Purity/Analytical Methods: >99.0%
950225-08-8 / N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-isoquinolin-3-yl-1H-imidazol-5-yl)benzamide
Basic Information
CAS
950225-08-8
Multi CAS
No
Molecular Formula
C27FH21N4O
Molecular Weight
436.500000
Exact Mass
436.169939
InChI
InChI=1S/C27H21FN4O/c1-17(18-9-11-23(28)12-10-18)31-27(33)21-8-4-7-20(13-21)25-16-30-26(32-25)24-14-19-5-2-3-6-22(19)15-29-24/h2-17H,1H3,(H,30,32)(H,31,33)/t17-/m1/s1
InChIKey
SIBDJDZVNXVLEX-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
27
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
127.04
TPSA
70.67
LogP / Solubility
WLOGP
5.92
MLOGP
5.24
XLogP3
4.9
Consensus LogP
5.35
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.01
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)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 950511-17-8 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950511-17-8.gif)
