8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide
TL;DR: 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide (CAS 61770-41-0) is a chemical compound with molecular formula C14H14O2S and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3λ6-thiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,9,11,13-tetraene 3,3-dioxide
Also Known As: 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide, 3lambda6-Thiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,9,11,13-tetraene 3,3-dioxide, 4a,5,10,10a-Tetrahydro-5,10-methano-1lambda~6~-naphtho[2,3-b]thiopyran-1,1(4H)-dione
| Molecular Formula | C14H14O2S |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.07146 |
| Heavy Atoms | 17 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 61770-41-0 |
|---|---|
| SMILES | C1C=CS(=O)(=O)C2C1C3CC2C4=CC=CC=C34 |
| InChIKey | UHDJPDNXNGWWOV-UHFFFAOYSA-N |
Product Overview
8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide (CAS 61770-41-0), with molecular formula C14H14O2S and molecular weight 246.07 g/mol. IUPAC: 3λ6-thiatetracyclo[6.6.1.02,7.09,14]pentadeca-4,9,11,13-tetraene 3,3-dioxide.
Chemical Property Profile of 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide
Property Insights of 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide has 0 hydrogen bond donor(s) and 2 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 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide?
The CAS number of 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide is 61770-41-0.
What is the molecular formula of 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide?
The molecular formula of 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide is C14H14O2S.
What is the molecular weight of 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide?
The molecular weight of 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide is 246.07 g/mol.
Where can I buy 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide?
You can request a quote for 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 8-thia-tetrahydro-bicyclo(2.2.1)heptadiene 8,8-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.