Octreotide (USAN/INN)
TL;DR: Octreotide (USAN/INN) (CAS 1240797-41-4) is a chemical compound with molecular formula C49H66N10O10S2 and molecular weight 1018.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: Octreotide, Longastatin, Sandostatine, Octreotida, Octreotidum
| Molecular Formula | C49H66N10O10S2 |
|---|---|
| Molecular Weight | 1018.44 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 383.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 1018.4405 |
| Heavy Atoms | 71 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 1240797-41-4 |
|---|---|
| SMILES | CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O |
| InChIKey | DEQANNDTNATYII-UHFFFAOYSA-N |
Product Overview
Octreotide (USAN/INN) (CAS 1240797-41-4), with molecular formula C49H66N10O10S2 and molecular weight 1018.44 g/mol. IUPAC: 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.
Chemical Property Profile of Octreotide (USAN/INN)
Property Insights of Octreotide (USAN/INN)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octreotide (USAN/INN). The TPSA of 383.0 Ų indicates high polarity, suggesting Octreotide (USAN/INN) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octreotide (USAN/INN) has 13 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octreotide (USAN/INN)?
The CAS number of Octreotide (USAN/INN) is 1240797-41-4.
What is the molecular formula of Octreotide (USAN/INN)?
The molecular formula of Octreotide (USAN/INN) is C49H66N10O10S2.
What is the molecular weight of Octreotide (USAN/INN)?
The molecular weight of Octreotide (USAN/INN) is 1018.44 g/mol.
Where can I buy Octreotide (USAN/INN)?
You can request a quote for Octreotide (USAN/INN) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octreotide (USAN/INN)?
Yes, KEHONG BIO provides custom synthesis services for Octreotide (USAN/INN) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.