Cochinmicin IV
TL;DR: Cochinmicin IV (CAS 146874-41-1) is a chemical compound with molecular formula C46H46ClN7O13 and molecular weight 939.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9-(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrole-2-carboxamide
Also Known As: Cochinmicin IV, N-[1-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9-(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrole-2-carboxamide
| Molecular Formula | C46H46ClN7O13 |
|---|---|
| Molecular Weight | 939.28 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 939.28424 |
| Heavy Atoms | 67 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 146874-41-1 |
|---|---|
| SMILES | CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C2=CC(=CC(=C2)O)O)C3=CC(=CC(=C3)O)O)CO)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=CC=C(N6)Cl |
| InChIKey | IGUQVVLOCYHROT-UHFFFAOYSA-N |
Product Overview
Cochinmicin IV (CAS 146874-41-1), with molecular formula C46H46ClN7O13 and molecular weight 939.28 g/mol. IUPAC: N-[1-[[12-benzyl-3,6-bis(3,5-dihydroxyphenyl)-9-(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrole-2-carboxamide.
Chemical Property Profile of Cochinmicin IV
Property Insights of Cochinmicin IV
The XLogP value of 4.0 indicates that Cochinmicin IV is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 318.0 Ų indicates high polarity, suggesting Cochinmicin IV may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cochinmicin IV has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cochinmicin IV?
The CAS number of Cochinmicin IV is 146874-41-1.
What is the molecular formula of Cochinmicin IV?
The molecular formula of Cochinmicin IV is C46H46ClN7O13.
What is the molecular weight of Cochinmicin IV?
The molecular weight of Cochinmicin IV is 939.28 g/mol.
Where can I buy Cochinmicin IV?
You can request a quote for Cochinmicin IV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cochinmicin IV?
Yes, KEHONG BIO provides custom synthesis services for Cochinmicin IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.