3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione
TL;DR: 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione (CAS 64566-32-1) is a chemical compound with molecular formula C8H6O3S and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione, 4,7-Epoxybenzo(c)thiophene-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-, 3a,4,7,7a-tetrahydro-4,7-epoxybenzo[c]thiophene-1,3-dione, (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 3aalpha,4,7,7aalpha-Tetrahydro-4beta,7beta-epoxybenzo[c]thiophene-1,3-dione
| Molecular Formula | C8H6O3S |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 0.356 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.00377 |
| Heavy Atoms | 12 |
| Complexity | 281.42484 |
Chemical Identifiers
| CAS Number | 64566-32-1 |
|---|---|
| SMILES | C1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)SC3=O |
Product Overview
3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione (CAS 64566-32-1), with molecular formula C8H6O3S and molecular weight 182.00 g/mol. IUPAC: (1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione
Property Insights of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione
The XLogP value of 0.356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione 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
Frequently Asked Questions
What is the CAS number of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione?
The CAS number of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione is 64566-32-1.
What is the molecular formula of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione?
The molecular formula of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione is C8H6O3S.
What is the molecular weight of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione?
The molecular weight of 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione is 182.00 g/mol.
Where can I buy 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione?
You can request a quote for 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a-alpha,4-beta,7-beta,7a-alpha-Tetrahydro-4,7-epoxybenzo(c)thiophene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.