Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione
TL;DR: Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione (CAS 127311-87-9) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6S,7S,8S,10S)-3-oxo-9,11-dioxa-3λ4-thiatetracyclo[5.3.1.02,6.08,10]undecan-5-one
Also Known As: 5,6-exo-Epoxyendothall thioanhydride, 2,6-Epoxy(2)benzothieno(5,6-b)oxirene-3,5-dione, hexahydro-, (1a-alpha,2-beta,2a-alpha,5a-alpha,6-beta,6a-alpha)-, Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione, (3aS,4S,5S,6S,7S,7aR)-Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione, RefChem:1086544
| Molecular Formula | C8H8O4S |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | -1.149 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.01433 |
| Heavy Atoms | 13 |
| Complexity | 311.03574 |
Chemical Identifiers
| CAS Number | 127311-87-9 |
|---|---|
| SMILES | C1C(=O)[C@@H]2[C@H]3[C@H]4[C@H](O4)[C@@H]([C@@H]2S1=O)O3 |
Product Overview
Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione (CAS 127311-87-9), with molecular formula C8H8O4S and molecular weight 200.01 g/mol. IUPAC: (1S,2R,6S,7S,8S,10S)-3-oxo-9,11-dioxa-3λ4-thiatetracyclo[5.3.1.02,6.08,10]undecan-5-one.
Chemical Property Profile of Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione
Property Insights of Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione
The XLogP value of -1.149 indicates that Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.9 Ų, Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-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 Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione?
The CAS number of Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione is 127311-87-9.
What is the molecular formula of Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione?
The molecular formula of Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione is C8H8O4S.
What is the molecular weight of Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione?
The molecular weight of Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione is 200.01 g/mol.
Where can I buy Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione?
You can request a quote for Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1H-4,7:5,6-diepoxy-1lambda~4~-1-benzothiophene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.