Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione
TL;DR: Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione (CAS 127311-86-8) is a chemical compound with molecular formula C11H12O3S and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-oxa-8-thiatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione
Also Known As: 1H,3H-4,7-Epoxy-3a,7a-propanobenzo(c)thiophene-1,3-dione, tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-, Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione, RefChem:1086543
| Molecular Formula | C11H12O3S |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 1.5043 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.05072 |
| Heavy Atoms | 15 |
| Complexity | 359.29428 |
Chemical Identifiers
| CAS Number | 127311-86-8 |
|---|---|
| SMILES | C1CC23C4CCC(C2(C1)C(=O)SC3=O)O4 |
Product Overview
Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione (CAS 127311-86-8), with molecular formula C11H12O3S and molecular weight 224.05 g/mol. IUPAC: 13-oxa-8-thiatetracyclo[4.3.3.12,5.01,6]tridecane-7,9-dione.
Chemical Property Profile of Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione
Property Insights of Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione
The XLogP value of 1.5043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione. With a topological polar surface area (TPSA) of 43.37 Ų, Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-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-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione?
The CAS number of Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione is 127311-86-8.
What is the molecular formula of Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione?
The molecular formula of Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione is C11H12O3S.
What is the molecular weight of Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione?
The molecular weight of Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione is 224.05 g/mol.
Where can I buy Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione?
You can request a quote for Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-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-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1H-4,7-epoxy-3a,7a-(methanothiomethano)indene-8,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.