N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine
TL;DR: N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine (CAS 7695-97-8) is a chemical compound with molecular formula C13H16ClNS and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzothiophen-3-ylmethyl)-2-chloro-N-ethylethanamine
Also Known As: N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine, AE-534/30057004, N-(1-benzothiophen-3-ylmethyl)-2-chloro-N-ethylethanamine, (benzo[b]thiophen-3-ylmethyl)(2-chloroethyl)ethylamine
| Molecular Formula | C13H16ClNS |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.0692 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 7695-97-8 |
|---|---|
| SMILES | CCN(CCCl)CC1=CSC2=CC=CC=C21 |
| InChIKey | VNBKKQQMWUXKOW-UHFFFAOYSA-N |
Product Overview
N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine (CAS 7695-97-8), with molecular formula C13H16ClNS and molecular weight 253.07 g/mol. IUPAC: N-(1-benzothiophen-3-ylmethyl)-2-chloro-N-ethylethanamine.
Chemical Property Profile of N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine
Property Insights of N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine
The XLogP value of 3.7 indicates that N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine 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 N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine?
The CAS number of N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine is 7695-97-8.
What is the molecular formula of N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine?
The molecular formula of N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine is C13H16ClNS.
What is the molecular weight of N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine?
The molecular weight of N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine is 253.07 g/mol.
Where can I buy N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine?
You can request a quote for N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzothien-3-ylmethyl)-2-chloro-N-ethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.