4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione
TL;DR: 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione (CAS 40322-63-2) is a chemical compound with molecular formula C10H9ClO3S and molecular weight 244.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6-benzothiepin-5-one
Also Known As: 4-chloro-1,1-dioxo-3,4-dihydro-2H-1, 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione, 4-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6-benzothiepin-5-one
| Molecular Formula | C10H9ClO3S |
|---|---|
| Molecular Weight | 244.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.9961 |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 40322-63-2 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2C(=O)C1Cl |
| InChIKey | GETIJHFBIYRVFO-UHFFFAOYSA-N |
Product Overview
4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione (CAS 40322-63-2), with molecular formula C10H9ClO3S and molecular weight 244.00 g/mol. IUPAC: 4-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6-benzothiepin-5-one.
Chemical Property Profile of 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione
Property Insights of 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione. With a topological polar surface area (TPSA) of 59.6 Ų, 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione 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 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione?
The CAS number of 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione is 40322-63-2.
What is the molecular formula of 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione?
The molecular formula of 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione is C10H9ClO3S.
What is the molecular weight of 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione?
The molecular weight of 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione is 244.00 g/mol.
Where can I buy 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione?
You can request a quote for 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3,4-dihydro-1H-1lambda~6~-benzothiepine-1,1,5(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.