![8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione structure](/static/products/256/25697-38-5.png)
8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione
TL;DR: 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione (CAS 25697-38-5) is a chemical compound with molecular formula C13H8ClNS2 and molecular weight 276.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione
Also Known As: 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione, 2-chlorodibenzo[b,f][1,4]thiazepine-11(10H)-thione, AE-641/30103023, 8-chloranyl-5H-benzo[b][1,4]benzothiazepine-6-thione
| Molecular Formula | C13H8ClNS2 |
|---|---|
| Molecular Weight | 276.98 g/mol |
| LogP | 4.5922 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.97867 |
| Heavy Atoms | 17 |
| Complexity | 610.11847 |
Chemical Identifiers
| CAS Number | 25697-38-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=S)C3=C(S2)C=CC(=C3)Cl |
Product Overview
8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione (CAS 25697-38-5), with molecular formula C13H8ClNS2 and molecular weight 276.98 g/mol. IUPAC: 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione.
Chemical Property Profile of 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione
Property Insights of 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione
The XLogP value of 4.5922 indicates that 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione has 1 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 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione?
The CAS number of 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione is 25697-38-5.
What is the molecular formula of 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione?
The molecular formula of 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione is C13H8ClNS2.
What is the molecular weight of 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione?
The molecular weight of 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione is 276.98 g/mol.
Where can I buy 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione?
You can request a quote for 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-5H-benzo[b][1,4]benzothiazepine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.