9-Desacetoxymelcanthin F
TL;DR: 9-Desacetoxymelcanthin F (CAS 110065-77-5) is a chemical compound with molecular formula C21H28O7 and molecular weight 392.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6E,10E)-10-(hydroxymethyl)-4-(2-methylbutanoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
Also Known As: 9-Desacetoxymelcanthin F, Cyclodeca(b)furan-6-carboxylic acid, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-, methyl ester, methyl (6E,10E)-10-(hydroxymethyl)-4-(2-methylbutanoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
| Molecular Formula | C21H28O7 |
|---|---|
| Molecular Weight | 392.18 g/mol |
| LogP | 2.2441 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1835 |
| Heavy Atoms | 28 |
| Complexity | 703.54266 |
Chemical Identifiers
| CAS Number | 110065-77-5 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C/C(=C\CC/C(=C\C2C1C(=C)C(=O)O2)/CO)/C(=O)OC |
Product Overview
9-Desacetoxymelcanthin F (CAS 110065-77-5), with molecular formula C21H28O7 and molecular weight 392.18 g/mol. IUPAC: methyl (6E,10E)-10-(hydroxymethyl)-4-(2-methylbutanoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate.
Chemical Property Profile of 9-Desacetoxymelcanthin F
Property Insights of 9-Desacetoxymelcanthin F
The XLogP value of 2.2441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Desacetoxymelcanthin F. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Desacetoxymelcanthin F. Following Lipinski's Rule of Five, 9-Desacetoxymelcanthin F has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Desacetoxymelcanthin F?
The CAS number of 9-Desacetoxymelcanthin F is 110065-77-5.
What is the molecular formula of 9-Desacetoxymelcanthin F?
The molecular formula of 9-Desacetoxymelcanthin F is C21H28O7.
What is the molecular weight of 9-Desacetoxymelcanthin F?
The molecular weight of 9-Desacetoxymelcanthin F is 392.18 g/mol.
Where can I buy 9-Desacetoxymelcanthin F?
You can request a quote for 9-Desacetoxymelcanthin F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Desacetoxymelcanthin F?
Yes, KEHONG BIO provides custom synthesis services for 9-Desacetoxymelcanthin F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.