4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-
TL;DR: 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)- (CAS 127311-84-6) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,6R,7S)-2,6-dimethyl-10-oxa-4-thiatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-
Technical Specifications
| Molecular Formula | C10H12O3S |
| Molecular Weight | 212.05072 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.05072 Da |
| Heavy Atoms | 14 |
| Complexity | 321.0 |
| SMILES | C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)SC2=O)C)O3 |
| InChIKey | JYRAGSXFSDKNJV-XCVPVQRUSA-N |
Chemical Property Profile of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-
Property Insights of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-. Following Lipinski's Rule of Five, 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The CAS number of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)- is 127311-84-6.
What is the molecular formula of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The molecular formula of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)- is C10H12O3S.
What is the molecular weight of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The molecular weight of 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)- is 212.05072 g/mol.
Where can I buy 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
You can request a quote for 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
Yes, CoreyChem provides custom synthesis services for 4,7-Epoxybenzo(c)thiophene-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a-alpha,4-beta,7-beta,7a-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.