Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-
TL;DR: Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- (CAS 37934-52-4) is a chemical compound with molecular formula C30H28N6O8S4 and molecular weight 728.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-[2-hydroxy-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-14-(hydroxymethyl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Also Known As: Melinacidin IV, 11,11'-Dihydroxychaetocin, 11,11'-Dihydroxychetocin, Chetocin, 11,11'-dihydroxy-, (6S,6'S)-6,6'-Dihydroxychaetocin
| Molecular Formula | C30H28N6O8S4 |
|---|---|
| Molecular Weight | 728.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 728.08514 |
| Heavy Atoms | 48 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 37934-52-4 |
|---|---|
| SMILES | CN1C(=O)C23C(C4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67C(C89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C)O)O |
| InChIKey | VGJIEAUSEFTEPX-UHFFFAOYSA-N |
Product Overview
Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- (CAS 37934-52-4), with molecular formula C30H28N6O8S4 and molecular weight 728.09 g/mol. IUPAC: 2-hydroxy-3-[2-hydroxy-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-14-(hydroxymethyl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione.
Chemical Property Profile of Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-
Property Insights of Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-. The TPSA of 287.0 Ų indicates high polarity, suggesting Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- has 6 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 Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-?
The CAS number of Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- is 37934-52-4.
What is the molecular formula of Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-?
The molecular formula of Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- is C30H28N6O8S4.
What is the molecular weight of Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-?
The molecular weight of Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- is 728.09 g/mol.
Where can I buy Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-?
You can request a quote for Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaetocin, 6,6'-dihydroxy-, (6S,6'S)-?
Yes, KEHONG BIO provides custom synthesis services for Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.