1-Benzothiepin 1,1-dioxide
TL;DR: 1-Benzothiepin 1,1-dioxide (CAS 41887-86-9) is a chemical compound with molecular formula C10H8O2S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1λ6-benzothiepine 1,1-dioxide
Also Known As: 1-Benzothiepin 1,1-dioxide, 1-Benzothiepin,1-dioxide, 1-Benzothiepin, 1,1-dioxide, 1-Benzothiepin1,1-dioxide, Benzo[b]thiepin-1,1-dioxid
| Molecular Formula | C10H8O2S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.0245 |
| Heavy Atoms | 13 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 41887-86-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=CS2(=O)=O |
| InChIKey | LSXZSLZITPNDSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzothiepin 1,1-dioxide (CAS 41887-86-9), with molecular formula C10H8O2S and molecular weight 192.02 g/mol. IUPAC: 1λ6-benzothiepine 1,1-dioxide.
Chemical Property Profile of 1-Benzothiepin 1,1-dioxide
Property Insights of 1-Benzothiepin 1,1-dioxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzothiepin 1,1-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Benzothiepin 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiepin 1,1-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 1-Benzothiepin 1,1-dioxide?
The CAS number of 1-Benzothiepin 1,1-dioxide is 41887-86-9.
What is the molecular formula of 1-Benzothiepin 1,1-dioxide?
The molecular formula of 1-Benzothiepin 1,1-dioxide is C10H8O2S.
What is the molecular weight of 1-Benzothiepin 1,1-dioxide?
The molecular weight of 1-Benzothiepin 1,1-dioxide is 192.02 g/mol.
Where can I buy 1-Benzothiepin 1,1-dioxide?
You can request a quote for 1-Benzothiepin 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiepin 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiepin 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.