2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-
TL;DR: 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- (CAS 112516-06-0) is a chemical compound with molecular formula C24H38O7 and molecular weight 438.26175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3aR,4R,6R,8R,8aR)-1,6-dihydroxy-3a,6-dimethyl-8-(2-methylpropanoyloxy)-5-oxo-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-, [(1R,3aR,4R,6R,8R,8aR)-1,6-dihydroxy-3a,6-dimethyl-8-(2-methylpropanoyloxy)-5-oxo-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
Technical Specifications
| Molecular Formula | C24H38O7 |
| Molecular Weight | 438.26175 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.26175 Da |
| Heavy Atoms | 31 |
| Complexity | 770.0 |
| SMILES | C/C=C(/C)\C(=O)O[C@H]1C(=O)[C@](C[C@H]([C@H]2[C@]1(CC[C@]2(C(C)C)O)C)OC(=O)C(C)C)(C)O |
| InChIKey | XNJGKVODMTWWSP-MDLHAAJVSA-N |
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-
Property Insights of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-
The XLogP value of 3.8 indicates that 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-?
The CAS number of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- is 112516-06-0.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-?
The molecular formula of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- is C24H38O7.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-?
The molecular weight of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- is 438.26175 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-?
You can request a quote for 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.