![11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine structure](/static/products/7206/720674-59-9.webp)
11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine
TL;DR: 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine (CAS 720674-59-9) is a chemical compound with molecular formula C17H17ClOS and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine
Also Known As: 3-chloropropyl 6,11-dihydrodibenzo[b,e]thiepin-11-yl ether, AE-641/00771044, 11-(3-chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine, Dibenzo[b,E]thiepine, 6,11-dihydro-11-(3-chloropropoxy)-, 11-(3-Chloropropoxy)-6,11-dihydrodibenzo[b,E]thiepine #
| Molecular Formula | C17H17ClOS |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.06888 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 720674-59-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(C3=CC=CC=C3S1)OCCCCl |
| InChIKey | BGLLEZOKLKYPHL-UHFFFAOYSA-N |
Product Overview
11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine (CAS 720674-59-9), with molecular formula C17H17ClOS and molecular weight 304.07 g/mol. IUPAC: 11-(3-chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine.
Chemical Property Profile of 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine
Property Insights of 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine
The XLogP value of 4.3 indicates that 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][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 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine?
The CAS number of 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine is 720674-59-9.
What is the molecular formula of 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine?
The molecular formula of 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine is C17H17ClOS.
What is the molecular weight of 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine?
The molecular weight of 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine is 304.07 g/mol.
Where can I buy 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine?
You can request a quote for 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine?
Yes, KEHONG BIO provides custom synthesis services for 11-(3-Chloropropoxy)-6,11-dihydrobenzo[c][1]benzothiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.