![2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine structure](/static/products/7515/75158-65-5.webp)
2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine
TL;DR: 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine (CAS 75158-65-5) is a chemical compound with molecular formula C18H18ClNS and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorobenzo[b][1]benzothiepin-6-yl)-N,N-dimethylethanamine
Also Known As: 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine, AE-641/30153031, 2-(3-chlorobenzo[b][1]benzothiepin-6-yl)-N,N-dimethylethanamine
| Molecular Formula | C18H18ClNS |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.08484 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 75158-65-5 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C31 |
| InChIKey | UENAMFGFTZTLNQ-UHFFFAOYSA-N |
Product Overview
2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine (CAS 75158-65-5), with molecular formula C18H18ClNS and molecular weight 315.08 g/mol. IUPAC: 2-(3-chlorobenzo[b][1]benzothiepin-6-yl)-N,N-dimethylethanamine.
Chemical Property Profile of 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine
Property Insights of 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine
The XLogP value of 5.0 indicates that 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine 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 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine?
The CAS number of 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine is 75158-65-5.
What is the molecular formula of 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine?
The molecular formula of 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine is C18H18ClNS.
What is the molecular weight of 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine?
The molecular weight of 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine is 315.08 g/mol.
Where can I buy 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine?
You can request a quote for 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chlorodibenzo[b,f]thiepin-10-yl)-N,N-dimethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.