Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride
TL;DR: Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride (CAS 62674-99-1) is a chemical compound with molecular formula C18H19Cl2NS and molecular weight 351.06 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)ethyl-dimethylazanium chloride
Also Known As: 2-Chloro-N,N-dimethyldibenzo(b,f)thiepin-10-ethanamine hydrochloride, DIBENZO(b,f)THIEPIN-10-ETHANAMINE, 2-CHLORO-N,N-DIMETHYL-, HYDROCHLORIDE, 2-(3-chlorobenzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride, RefChem:337175
| Molecular Formula | C18H19Cl2NS |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 0.88 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.06152 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 62674-99-1 |
|---|---|
| SMILES | C[NH+](C)CCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C31.[Cl-] |
| InChIKey | VAZAJUYAZGHOSO-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride (CAS 62674-99-1), with molecular formula C18H19Cl2NS and molecular weight 351.06 g/mol. IUPAC: 2-(3-chlorobenzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride
Property Insights of Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride
The XLogP value of 0.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride. With a topological polar surface area (TPSA) of 29.7 Ų, Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride 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 Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride?
The CAS number of Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride is 62674-99-1.
What is the molecular formula of Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride?
The molecular formula of Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride is C18H19Cl2NS.
What is the molecular weight of Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride?
The molecular weight of Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride is 351.06 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride?
You can request a quote for Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-10-ethanamine, 2-chloro-N,N-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.