![3-Chlorobenzo[b][1]benzothiepine-5,6-dione structure](/static/products/659/65999-60-2.png)
3-Chlorobenzo[b][1]benzothiepine-5,6-dione
TL;DR: 3-Chlorobenzo[b][1]benzothiepine-5,6-dione (CAS 65999-60-2) is a chemical compound with molecular formula C14H7ClO2S and molecular weight 273.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobenzo[b][1]benzothiepine-5,6-dione
Also Known As: 2-chlorodibenzo[b,f]thiepine-10,11-dione, 3-chlorobenzo[b][1]benzothiepine-5,6-dione, AE-641/30102005
| Molecular Formula | C14H7ClO2S |
|---|---|
| Molecular Weight | 273.99 g/mol |
| LogP | 3.4283 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.98553 |
| Heavy Atoms | 18 |
| Complexity | 883.69946 |
Chemical Identifiers
| CAS Number | 65999-60-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)C3=C(S2)C=CC(=C3)Cl |
Product Overview
3-Chlorobenzo[b][1]benzothiepine-5,6-dione (CAS 65999-60-2), with molecular formula C14H7ClO2S and molecular weight 273.99 g/mol. IUPAC: 3-chlorobenzo[b][1]benzothiepine-5,6-dione.
Chemical Property Profile of 3-Chlorobenzo[b][1]benzothiepine-5,6-dione
Property Insights of 3-Chlorobenzo[b][1]benzothiepine-5,6-dione
The XLogP value of 3.4283 indicates that 3-Chlorobenzo[b][1]benzothiepine-5,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 3-Chlorobenzo[b][1]benzothiepine-5,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzo[b][1]benzothiepine-5,6-dione 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-Chlorobenzo[b][1]benzothiepine-5,6-dione?
The CAS number of 3-Chlorobenzo[b][1]benzothiepine-5,6-dione is 65999-60-2.
What is the molecular formula of 3-Chlorobenzo[b][1]benzothiepine-5,6-dione?
The molecular formula of 3-Chlorobenzo[b][1]benzothiepine-5,6-dione is C14H7ClO2S.
What is the molecular weight of 3-Chlorobenzo[b][1]benzothiepine-5,6-dione?
The molecular weight of 3-Chlorobenzo[b][1]benzothiepine-5,6-dione is 273.99 g/mol.
Where can I buy 3-Chlorobenzo[b][1]benzothiepine-5,6-dione?
You can request a quote for 3-Chlorobenzo[b][1]benzothiepine-5,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorobenzo[b][1]benzothiepine-5,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzo[b][1]benzothiepine-5,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.