RefChem:326259
TL;DR: RefChem:326259 (CAS 17512-55-9) is a chemical compound with molecular formula C13H16Cl3NS and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(7-chloro-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride
Also Known As: Benzo(b)thiophene-3-methylamine, 7-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride, Benzo(b)thiophene-3-methanamine, 7-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride, 7-Chloro-N-(2-chloroethyl)-N-ethylbenzo(b)thiophene-3-methylamine hydrochloride, 2-chloro-N-[(7-chloro-1-benzothiophen-3-yl)methyl]-N-ethylethanamine hydrochloride, 2-Chloro-N-[(7-chloro-1-benzothiophen-3-yl)methyl]-N-ethylethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C13H16Cl3NS |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 5.0372 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0069 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 17512-55-9 |
|---|---|
| SMILES | CCN(CCCl)CC1=CSC2=C1C=CC=C2Cl.Cl |
| InChIKey | AEVHWYIKJUQRGM-UHFFFAOYSA-N |
Product Overview
RefChem:326259 (CAS 17512-55-9), with molecular formula C13H16Cl3NS and molecular weight 323.01 g/mol. IUPAC: 2-chloro-N-[(7-chloro-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride.
Chemical Property Profile of RefChem:326259
Property Insights of RefChem:326259
The XLogP value of 5.0372 indicates that RefChem:326259 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, RefChem:326259 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326259 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:326259?
The CAS number of RefChem:326259 is 17512-55-9.
What is the molecular formula of RefChem:326259?
The molecular formula of RefChem:326259 is C13H16Cl3NS.
What is the molecular weight of RefChem:326259?
The molecular weight of RefChem:326259 is 323.01 g/mol.
Where can I buy RefChem:326259?
You can request a quote for RefChem:326259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326259?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.