2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-
TL;DR: 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- (CAS 82513-43-7) is a chemical compound with molecular formula C21H24O8 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,8S,9S,10R,11R)-10-acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 2-methylprop-2-enoate
Also Known As: 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-, (3aS,4S,5R,6R,10R,11aR)-5-(Acetyloxy)-6,10-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,9-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate
| Molecular Formula | C21H24O8 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.14713 |
| Heavy Atoms | 29 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 82513-43-7 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(C(=O)C=C1O3)C)OC(=O)C)OC(=O)C(=C)C)C(=C)C(=O)O2 |
| InChIKey | AZJNEENXQPHAPR-ZOTQAEASSA-N |
Product Overview
2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- (CAS 82513-43-7), with molecular formula C21H24O8 and molecular weight 404.15 g/mol. IUPAC: [(2R,4R,8S,9S,10R,11R)-10-acetyloxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 2-methylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-
Property Insights of 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- has 0 hydrogen bond donor(s) and 8 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 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-?
The CAS number of 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- is 82513-43-7.
What is the molecular formula of 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-?
The molecular formula of 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- is C21H24O8.
What is the molecular weight of 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-?
The molecular weight of 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- is 404.15 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-?
You can request a quote for 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-, 5-(acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,5S*,6S*,10S*,11aS*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.