Millefin
TL;DR: Millefin (CAS 39262-27-6) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6E,10E)-4-acetyloxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] acetate
Also Known As: Millefin, 4-(acetyloxy)-3,6,10-trimethyl-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate, (3R,3AR,4R,9S,11as)-9-(acetyloxy)-3,6,10-trimethyl-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca(b)furan-4-yl acetic acid, (3R,3AR,4R,9S,11as)-9-(acetyloxy)-3,6,10-trimethyl-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca[b]furan-4-yl acetic acid, [(6E,10E)-4-acetyloxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] acetate
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 2.7139 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 617.4039 |
Chemical Identifiers
| CAS Number | 39262-27-6 |
|---|---|
| SMILES | CC1C2C(C/C(=C/CC(/C(=C/C2OC1=O)/C)OC(=O)C)/C)OC(=O)C |
Product Overview
Millefin (CAS 39262-27-6), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: [(6E,10E)-4-acetyloxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-9-yl] acetate.
Chemical Property Profile of Millefin
Property Insights of Millefin
The XLogP value of 2.7139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Millefin. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Millefin. Following Lipinski's Rule of Five, Millefin has 0 hydrogen bond donor(s) and 6 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 Millefin?
The CAS number of Millefin is 39262-27-6.
What is the molecular formula of Millefin?
The molecular formula of Millefin is C19H26O6.
What is the molecular weight of Millefin?
The molecular weight of Millefin is 350.17 g/mol.
Where can I buy Millefin?
You can request a quote for Millefin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Millefin?
Yes, KEHONG BIO provides custom synthesis services for Millefin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.