![3-Chloro-8-methoxybenzo[b][1]benzothiepine structure](/static/products/560/56096-65-2.png)
3-Chloro-8-methoxybenzo[b][1]benzothiepine
TL;DR: 3-Chloro-8-methoxybenzo[b][1]benzothiepine (CAS 56096-65-2) is a chemical compound with molecular formula C15H11ClOS and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-8-methoxybenzo[b][1]benzothiepine
Also Known As: 3-chloro-8-methoxybenzo[b][1]benzothiepine, 8-chlorodibenzo[b,f]thiepin-2-yl methyl ether, AE-641/00360057
| Molecular Formula | C15H11ClOS |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 4.9836 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.0219 |
| Heavy Atoms | 18 |
| Complexity | 634.38586 |
Chemical Identifiers
| CAS Number | 56096-65-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=C(C=C2)C=C(C=C3)Cl |
Product Overview
3-Chloro-8-methoxybenzo[b][1]benzothiepine (CAS 56096-65-2), with molecular formula C15H11ClOS and molecular weight 274.02 g/mol. IUPAC: 3-chloro-8-methoxybenzo[b][1]benzothiepine.
Chemical Property Profile of 3-Chloro-8-methoxybenzo[b][1]benzothiepine
Property Insights of 3-Chloro-8-methoxybenzo[b][1]benzothiepine
The XLogP value of 4.9836 indicates that 3-Chloro-8-methoxybenzo[b][1]benzothiepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Chloro-8-methoxybenzo[b][1]benzothiepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-8-methoxybenzo[b][1]benzothiepine 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 3-Chloro-8-methoxybenzo[b][1]benzothiepine?
The CAS number of 3-Chloro-8-methoxybenzo[b][1]benzothiepine is 56096-65-2.
What is the molecular formula of 3-Chloro-8-methoxybenzo[b][1]benzothiepine?
The molecular formula of 3-Chloro-8-methoxybenzo[b][1]benzothiepine is C15H11ClOS.
What is the molecular weight of 3-Chloro-8-methoxybenzo[b][1]benzothiepine?
The molecular weight of 3-Chloro-8-methoxybenzo[b][1]benzothiepine is 274.02 g/mol.
Where can I buy 3-Chloro-8-methoxybenzo[b][1]benzothiepine?
You can request a quote for 3-Chloro-8-methoxybenzo[b][1]benzothiepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-8-methoxybenzo[b][1]benzothiepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-8-methoxybenzo[b][1]benzothiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.