Octapeptin C1
TL;DR: Octapeptin C1 (CAS 59217-95-7) is a chemical compound with molecular formula C50H87N13O10 and molecular weight 1029.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-6-methyloctanamide
Also Known As: Octapeptin C1, Antibiotic 333-25, N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-6-methyloctanamide, Octapeptin A1, 1-(N(sup 2)-(3-hydroxy-6-methyl-1-oxooctyl)-D-2,4-diaminobutanoic acid)-4-D-phenylalanine-, N-(4-amino-1-oxo-1-((6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-diisobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)-3-hydroxy-6-methyloctanamide
| Molecular Formula | C50H87N13O10 |
|---|---|
| Molecular Weight | 1029.67 g/mol |
| LogP | -2.3079 |
| Topological Polar Surface Area | 386.21 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 23 |
| Exact Mass | 1029.6699 |
| Heavy Atoms | 73 |
| Complexity | 1926.2054 |
Chemical Identifiers
| CAS Number | 59217-95-7 |
|---|---|
| SMILES | CCC(C)CCC(CC(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)CC(C)C)O |
Product Overview
Octapeptin C1 (CAS 59217-95-7), with molecular formula C50H87N13O10 and molecular weight 1029.67 g/mol. IUPAC: N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-6-methyloctanamide.
Chemical Property Profile of Octapeptin C1
Property Insights of Octapeptin C1
The XLogP value of -2.3079 indicates that Octapeptin C1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.21 Ų indicates high polarity, suggesting Octapeptin C1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octapeptin C1 has 14 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 Octapeptin C1?
The CAS number of Octapeptin C1 is 59217-95-7.
What is the molecular formula of Octapeptin C1?
The molecular formula of Octapeptin C1 is C50H87N13O10.
What is the molecular weight of Octapeptin C1?
The molecular weight of Octapeptin C1 is 1029.67 g/mol.
Where can I buy Octapeptin C1?
You can request a quote for Octapeptin C1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octapeptin C1?
Yes, KEHONG BIO provides custom synthesis services for Octapeptin C1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.