Melcanthin E
TL;DR: Melcanthin E (CAS 79405-86-0) is a chemical compound with molecular formula C22H28O9 and molecular weight 436.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6E,10E)-5-acetyloxy-10-(hydroxymethyl)-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
Also Known As: Melcanthin E, methyl (6E,10E)-5-acetyloxy-10-(hydroxymethyl)-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate, Methyl (3ar,4S,5R,11as)-5-(acetyloxy)-10-(hydroxymethyl)-3-methylidene-4-((2-methylpropanoyl)oxy)-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca(b)furan-6-carboxylic acid, Methyl (3ar,4S,5R,11as)-5-(acetyloxy)-10-(hydroxymethyl)-3-methylidene-4-[(2-methylpropanoyl)oxy]-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca[b]furan-6-carboxylic acid, methyl (6E,10E)-5-acetyloxy-10-(hydroxymethyl)-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-6-carboxylate
| Molecular Formula | C22H28O9 |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 1.3956 |
| Topological Polar Surface Area | 125.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.17334 |
| Heavy Atoms | 31 |
| Complexity | 820.8382 |
Chemical Identifiers
| CAS Number | 79405-86-0 |
|---|---|
| SMILES | CC(C)C(=O)OC1C2C(/C=C(\CC/C=C(\C1OC(=O)C)/C(=O)OC)/CO)OC(=O)C2=C |
Product Overview
Melcanthin E (CAS 79405-86-0), with molecular formula C22H28O9 and molecular weight 436.17 g/mol. IUPAC: methyl (6E,10E)-5-acetyloxy-10-(hydroxymethyl)-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate.
Chemical Property Profile of Melcanthin E
Property Insights of Melcanthin E
The XLogP value of 1.3956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Melcanthin E. The TPSA of 125.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Melcanthin E. Following Lipinski's Rule of Five, Melcanthin E has 1 hydrogen bond donor(s) and 9 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 Melcanthin E?
The CAS number of Melcanthin E is 79405-86-0.
What is the molecular formula of Melcanthin E?
The molecular formula of Melcanthin E is C22H28O9.
What is the molecular weight of Melcanthin E?
The molecular weight of Melcanthin E is 436.17 g/mol.
Where can I buy Melcanthin E?
You can request a quote for Melcanthin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melcanthin E?
Yes, KEHONG BIO provides custom synthesis services for Melcanthin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.