N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
TL;DR: N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine (CAS 16662-31-0) is a chemical compound with molecular formula C13H15Cl2NS and molecular weight 287.03 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-(2-chloroethyl)ethanamine
Also Known As: N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine, AE-534/30091014, N-(1-benzothiophen-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
| Molecular Formula | C13H15Cl2NS |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 4.1809 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.0302 |
| Heavy Atoms | 17 |
| Complexity | 463.14233 |
Chemical Identifiers
| CAS Number | 16662-31-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)CN(CCCl)CCCl |
Product Overview
N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine (CAS 16662-31-0), with molecular formula C13H15Cl2NS and molecular weight 287.03 g/mol. IUPAC: N-(1-benzothiophen-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
Property Insights of N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
The XLogP value of 4.1809 indicates that N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine 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-(2-chloroethyl)ethanamine?
The CAS number of N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine is 16662-31-0.
What is the molecular formula of N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine?
The molecular formula of N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine is C13H15Cl2NS.
What is the molecular weight of N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine?
The molecular weight of N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine is 287.03 g/mol.
Where can I buy N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine?
You can request a quote for N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine 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-(2-chloroethyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzothien-3-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.