Zoapatanolide A
TL;DR: Zoapatanolide A (CAS 84886-38-4) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,6Z,10Z)-5,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
Also Known As: Zoapatanolide A, 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,8,9,11a-octahydro-5,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4S*(Z),5S*,6E,9S*,10Z,11aS*))-, [(3aS,6Z,10Z)-5,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate, ((3aS,4R,5R,6E,9R,10Z,11aR)-5,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (Z)-2-methylbut-2-enoate, (3AR,4S,5S,9S,11ar)-5,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca(b)furan-4-yl (2E)-2-methylbut-2-enoic acid
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 1.9803 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 699.08997 |
Chemical Identifiers
| CAS Number | 84886-38-4 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1[C@@H]2C(/C=C(\C(C/C=C(\C1O)/C)O)/C)OC(=O)C2=C |
Product Overview
Zoapatanolide A (CAS 84886-38-4), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: [(3aS,6Z,10Z)-5,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Zoapatanolide A
Property Insights of Zoapatanolide A
The XLogP value of 1.9803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zoapatanolide A. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Zoapatanolide A. Following Lipinski's Rule of Five, Zoapatanolide A has 2 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 Zoapatanolide A?
The CAS number of Zoapatanolide A is 84886-38-4.
What is the molecular formula of Zoapatanolide A?
The molecular formula of Zoapatanolide A is C20H26O6.
What is the molecular weight of Zoapatanolide A?
The molecular weight of Zoapatanolide A is 362.17 g/mol.
Where can I buy Zoapatanolide A?
You can request a quote for Zoapatanolide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zoapatanolide A?
Yes, KEHONG BIO provides custom synthesis services for Zoapatanolide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.