Octrotide
TL;DR: Octrotide (CAS 79517-01-4) 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.
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-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, Sandostatin, Longastatin, Octreotida, Octreotidum
| Molecular Formula | C49H66N10O10S2 |
|---|---|
| Molecular Weight | 1018.44 g/mol |
| LogP | -0.8054 |
| Topological Polar Surface Area | 332.22 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 1018.4405 |
| Heavy Atoms | 71 |
| Complexity | 2395.2534 |
Chemical Identifiers
| CAS Number | 79517-01-4 |
|---|---|
| SMILES | C[C@H]([C@@H](CO)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)O |
Product Overview
Octrotide (CAS 79517-01-4), with molecular formula C49H66N10O10S2 and molecular weight 1018.44 g/mol. IUPAC: (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-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 Octrotide
Property Insights of Octrotide
The XLogP value of -0.8054 indicates that Octrotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 332.22 Ų indicates high polarity, suggesting Octrotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octrotide 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 Octrotide?
The CAS number of Octrotide is 79517-01-4.
What is the molecular formula of Octrotide?
The molecular formula of Octrotide is C49H66N10O10S2.
What is the molecular weight of Octrotide?
The molecular weight of Octrotide is 1018.44 g/mol.
Where can I buy Octrotide?
You can request a quote for Octrotide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octrotide?
Yes, KEHONG BIO provides custom synthesis services for Octrotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.