3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide
TL;DR: 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide (CAS 22710-97-0) is a chemical compound with molecular formula C10H10O3S and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-3,4-dihydro-2H-1λ6-benzothiepin-5-one
Also Known As: 2,3,4,5-tetrahydro-1, 2,3,4,5-Tetrahydro-1lambda6-benzothiepine-1,1,5-trione, 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide, 1,1-dioxo-3,4-dihydro-2H-1, BAS 01062702
| Molecular Formula | C10H10O3S |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.03506 |
| Heavy Atoms | 14 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 22710-97-0 |
|---|---|
| SMILES | C1CC(=O)C2=CC=CC=C2S(=O)(=O)C1 |
| InChIKey | UWJFARZPXSHTIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide (CAS 22710-97-0), with molecular formula C10H10O3S and molecular weight 210.04 g/mol. IUPAC: 1,1-dioxo-3,4-dihydro-2H-1λ6-benzothiepin-5-one.
Chemical Property Profile of 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide
Property Insights of 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide. With a topological polar surface area (TPSA) of 59.6 Ų, 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide?
The CAS number of 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide is 22710-97-0.
What is the molecular formula of 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide?
The molecular formula of 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide is C10H10O3S.
What is the molecular weight of 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide?
The molecular weight of 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide is 210.04 g/mol.
Where can I buy 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide?
You can request a quote for 3,4-dihydro-1-benzothiepin-5(2H)-one 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 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-1-benzothiepin-5(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.