CAS RN: 396091-76-2
Pasireotide Acetate
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.20260218 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS396091-76-2
- Purity/Analytical Methods: >99.0%
396091-76-2 / acetic acid;[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate
Basic Information
CAS
396091-76-2
Multi CAS
Yes
Molecular Formula
C60H70N10O11
Molecular Weight
1107.300000
Exact Mass
1106.522553
InChI
InChI=1S/C58H66N10O9.C2H4O2/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;1-2(3)4/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);1H3,(H,3,4)/t43-,46+,47+,48-,49+,50+,51+;/m1./s1
InChIKey
WFKFNBBHVLMWQH-QKXVGOHISA-N
Computed Properties
Structural Parameters
Heavy atom count
81
Aromatic heavy atom count
33
Fraction Csp3
0.33
Rotatable bonds
17
H-bond acceptors
12
H-bond donors
10
Molar refractivity
301.78
TPSA
318.5
LogP / Solubility
WLOGP
3.46
MLOGP
3.15
XLogP3
3.46
Consensus LogP
3.36
Log S (ESOL)
-8.06
Class (ESOL)
Insoluble
Log S (Ali)
-11.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.77
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)
-7.02
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
10
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