CAS RN: 149845-06-7
SAQUINAVIR MESYLATE
Product Availability
Choose a grade to view its available package options.
6 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260525 | 100mg | Out of stock | Inquiry | |
| Batchno.20251220 | 1g | Out of stock | Inquiry | |
| Batchno.20250118 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260317 | 250mg | Out of stock | Inquiry | |
| Batchno.20250518 | 25mg | Out of stock | Inquiry | |
| Batchno.20260604 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS149845-06-7
- Purity/Analytical Methods: >99.0%
149845-06-7 / (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;methanesulfonic acid
Basic Information
CAS
149845-06-7
Multi CAS
No
Molecular Formula
C39H54N6O8S
Molecular Weight
766.900000
Exact Mass
766.372384
SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O
InChI
InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1
InChIKey
IRHXGOXEBNJUSN-YOXDLBRISA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
16
Fraction Csp3
0.51
Rotatable bonds
12
H-bond acceptors
9
H-bond donors
6
Molar refractivity
205.69
TPSA
221.12
LogP / Solubility
WLOGP
2.6
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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