2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
TL;DR: 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione (CAS 41887-79-0) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1λ6-benzothiepine 1,1-dioxide
Also Known As: 2,3-dihydro-1, 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione, 2,3-dihydro-benzo[b]thiepine 1,1-dioxide, 2,3-dihydro-1lambda6-benzothiepine 1,1-dioxide, RefChem:244730
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 41887-79-0 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2C=C1 |
| InChIKey | FJMQXAJQFNWGKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione (CAS 41887-79-0), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: 2,3-dihydro-1λ6-benzothiepine 1,1-dioxide.
Chemical Property Profile of 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
Property Insights of 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione. With a topological polar surface area (TPSA) of 42.5 Ų, 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione 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 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The CAS number of 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione is 41887-79-0.
What is the molecular formula of 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The molecular formula of 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione is C10H10O2S.
What is the molecular weight of 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
The molecular weight of 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione is 194.04 g/mol.
Where can I buy 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
You can request a quote for 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.