Ternatin
TL;DR: Ternatin (CAS 571-71-1) is a chemical compound with molecular formula C37H67N7O8 and molecular weight 737.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12S,15R,18R,21R)-15-[(2R)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
Also Known As: Ternatin, Ternatin heptapeptide, (3S,6S,9S,12S,15R,18R,21R)-15-[(2R)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone, (3S,6S,9S,12S,15R,18R,21R)-18-[(1R)-1-hydroxy-2-methyl-propyl]-6,9-diisobutyl-1,3,4,10,12,13,21-heptamethyl-15-[(1R)-1-methylpropyl]-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone, Cyclo[N-methyl-D-alanyl-(3R)-3-hydroxy-D-leucyl-D-isoleucyl-N-methyl-L-alanyl-N-methyl-L-leucyl-L-leucyl-N-methyl-L-alanyl]
| Molecular Formula | C37H67N7O8 |
|---|---|
| Molecular Weight | 737.51 g/mol |
| LogP | 0.9773 |
| Topological Polar Surface Area | 188.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 737.5051 |
| Heavy Atoms | 52 |
| Complexity | 1290.3344 |
Chemical Identifiers
| CAS Number | 571-71-1 |
|---|---|
| SMILES | CC[C@@H](C)[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](C(=O)N[C@@H](C(=O)N1)[C@@H](C(C)C)O)C)C)C)C)CC(C)C)CC(C)C)C)C)C |
Product Overview
Ternatin (CAS 571-71-1), with molecular formula C37H67N7O8 and molecular weight 737.51 g/mol. IUPAC: (3S,6S,9S,12S,15R,18R,21R)-15-[(2R)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone.
Chemical Property Profile of Ternatin
Property Insights of Ternatin
The XLogP value of 0.9773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ternatin. The TPSA of 188.77 Ų indicates high polarity, suggesting Ternatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ternatin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ternatin?
The CAS number of Ternatin is 571-71-1.
What is the molecular formula of Ternatin?
The molecular formula of Ternatin is C37H67N7O8.
What is the molecular weight of Ternatin?
The molecular weight of Ternatin is 737.51 g/mol.
Where can I buy Ternatin?
You can request a quote for Ternatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ternatin?
Yes, KEHONG BIO provides custom synthesis services for Ternatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.