4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide
TL;DR: 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide (CAS 23695-63-8) is a chemical compound with molecular formula C12H12O2S and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12λ6-thiatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraene 12,12-dioxide
Also Known As: 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide, 4a,8a- naphthalene10,10-dioxide, RCL T178535, 4a,8a-(Methanothiomethano)naphthalene-10,10-dione, 12-Thia[4.4.3]-propella-2.4.7.9-tetraen-12-dioxid
| Molecular Formula | C12H12O2S |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.0558 |
| Heavy Atoms | 15 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 23695-63-8 |
|---|---|
| SMILES | C1C23C=CC=CC2(CS1(=O)=O)C=CC=C3 |
| InChIKey | GJZLCJJIQHGLOB-UHFFFAOYSA-N |
Product Overview
4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide (CAS 23695-63-8), with molecular formula C12H12O2S and molecular weight 220.06 g/mol. IUPAC: 12λ6-thiatricyclo[4.4.3.01,6]trideca-2,4,7,9-tetraene 12,12-dioxide.
Chemical Property Profile of 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide
Property Insights of 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,8a-(Methanothiomethano)naphthalene, 10,10-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 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide?
The CAS number of 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide is 23695-63-8.
What is the molecular formula of 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide?
The molecular formula of 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide is C12H12O2S.
What is the molecular weight of 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide?
The molecular weight of 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide is 220.06 g/mol.
Where can I buy 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide?
You can request a quote for 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4a,8a-(Methanothiomethano)naphthalene, 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.