![6-(Chloromethyl)benzo[b][1,4]benzothiazepine structure](/static/products/2250/22504-09-2.webp)
6-(Chloromethyl)benzo[b][1,4]benzothiazepine
TL;DR: 6-(Chloromethyl)benzo[b][1,4]benzothiazepine (CAS 22504-09-2) is a chemical compound with molecular formula C14H10ClNS and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(chloromethyl)benzo[b][1,4]benzothiazepine
Also Known As: 11-(chloromethyl)dibenzo[b,f][1,4]thiazepine, 6-(chloromethyl)benzo[b][1,4]benzothiazepine, Dibenzo[b,f][1,4]thiazepine, 11-(chloromethyl)-, 11-(chloromethyl)dibenzo[b,f]1,4-thiazepine, AE-641/11701062
| Molecular Formula | C14H10ClNS |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 4.5108 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.02225 |
| Heavy Atoms | 17 |
| Complexity | 592.281 |
Chemical Identifiers
| CAS Number | 22504-09-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)CCl |
Product Overview
6-(Chloromethyl)benzo[b][1,4]benzothiazepine (CAS 22504-09-2), with molecular formula C14H10ClNS and molecular weight 259.02 g/mol. IUPAC: 6-(chloromethyl)benzo[b][1,4]benzothiazepine.
Chemical Property Profile of 6-(Chloromethyl)benzo[b][1,4]benzothiazepine
Property Insights of 6-(Chloromethyl)benzo[b][1,4]benzothiazepine
The XLogP value of 4.5108 indicates that 6-(Chloromethyl)benzo[b][1,4]benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 6-(Chloromethyl)benzo[b][1,4]benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Chloromethyl)benzo[b][1,4]benzothiazepine 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 6-(Chloromethyl)benzo[b][1,4]benzothiazepine?
The CAS number of 6-(Chloromethyl)benzo[b][1,4]benzothiazepine is 22504-09-2.
What is the molecular formula of 6-(Chloromethyl)benzo[b][1,4]benzothiazepine?
The molecular formula of 6-(Chloromethyl)benzo[b][1,4]benzothiazepine is C14H10ClNS.
What is the molecular weight of 6-(Chloromethyl)benzo[b][1,4]benzothiazepine?
The molecular weight of 6-(Chloromethyl)benzo[b][1,4]benzothiazepine is 259.02 g/mol.
Where can I buy 6-(Chloromethyl)benzo[b][1,4]benzothiazepine?
You can request a quote for 6-(Chloromethyl)benzo[b][1,4]benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Chloromethyl)benzo[b][1,4]benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Chloromethyl)benzo[b][1,4]benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.