Pasireotide
TL;DR: Pasireotide (CAS 1498076-00-8) is a chemical compound with molecular formula C58H66N10O9 and molecular weight 1046.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
Also Known As: Pasireotide, Signifor, pasireotida, pasireotidum, Signifor LAR
| Molecular Formula | C58H66N10O9 |
|---|---|
| Molecular Weight | 1046.50 g/mol |
| LogP | 3.3685 |
| Topological Polar Surface Area | 281.2 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 1046.5015 |
| Heavy Atoms | 77 |
| Complexity | 2960.6897 |
Chemical Identifiers
| CAS Number | 1498076-00-8 |
|---|---|
| SMILES | C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN |
Product Overview
Pasireotide (CAS 1498076-00-8), with molecular formula C58H66N10O9 and molecular weight 1046.50 g/mol. IUPAC: [(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.
Chemical Property Profile of Pasireotide
Property Insights of Pasireotide
The XLogP value of 3.3685 indicates that Pasireotide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 281.2 Ų indicates high polarity, suggesting Pasireotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pasireotide has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pasireotide?
The CAS number of Pasireotide is 1498076-00-8.
What is the molecular formula of Pasireotide?
The molecular formula of Pasireotide is C58H66N10O9.
What is the molecular weight of Pasireotide?
The molecular weight of Pasireotide is 1046.50 g/mol.
Where can I buy Pasireotide?
You can request a quote for Pasireotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pasireotide?
Yes, KEHONG BIO provides custom synthesis services for Pasireotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.