9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide
TL;DR: 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide (CAS 34019-61-9) is a chemical compound with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-chloro-12λ6-thiatricyclo[4.4.3.01,6]trideca-3,8-diene 12,12-dioxide
Also Known As: RCL T169595, RCL T182435, 9-chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide, 9-chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphth, 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene-10,10-dione
| Molecular Formula | C12H15ClO2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.04813 |
| Heavy Atoms | 16 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 34019-61-9 |
|---|---|
| SMILES | C1C=CCC23C1(CC=CC2)CS(=O)(=O)C3Cl |
| InChIKey | BWNCZALTXQSFOM-UHFFFAOYSA-N |
Product Overview
9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide (CAS 34019-61-9), with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol. IUPAC: 11-chloro-12λ6-thiatricyclo[4.4.3.01,6]trideca-3,8-diene 12,12-dioxide.
Chemical Property Profile of 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide
Property Insights of 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Chloro-1,4,5,8-tetrahydro-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 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide?
The CAS number of 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide is 34019-61-9.
What is the molecular formula of 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide?
The molecular formula of 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide is C12H15ClO2S.
What is the molecular weight of 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide?
The molecular weight of 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide is 258.05 g/mol.
Where can I buy 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide?
You can request a quote for 9-Chloro-1,4,5,8-tetrahydro-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 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 9-Chloro-1,4,5,8-tetrahydro-4a,8a-(methanothiomethano)naphthalene 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.