RefChem:326257
TL;DR: RefChem:326257 (CAS 17512-44-6) is a chemical compound with molecular formula C14H18Cl3NS and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine;hydrochloride
Also Known As: Benzo(b)thiophene-3-methylamine, 5-chloro-N-(2-chloroethyl)-N-isopropyl-, hydrochloride, 5-Chloro-N-(2-chloroethyl)-N-isopropylbenzo(b)thiophene-3-methylamine hydrochloride, Benzo(b)thiophene-3-methanamine, 5-chloro-N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride, N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine hydrochloride, N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine--hydrogen chloride (1/1)
| Molecular Formula | C14H18Cl3NS |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | 5.4257 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02255 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 17512-44-6 |
|---|---|
| SMILES | CC(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)Cl.Cl |
| InChIKey | OQHJWRRRMUGPSP-UHFFFAOYSA-N |
Product Overview
RefChem:326257 (CAS 17512-44-6), with molecular formula C14H18Cl3NS and molecular weight 337.02 g/mol. IUPAC: N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine;hydrochloride.
Chemical Property Profile of RefChem:326257
Property Insights of RefChem:326257
The XLogP value of 5.4257 indicates that RefChem:326257 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:326257 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326257 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:326257?
The CAS number of RefChem:326257 is 17512-44-6.
What is the molecular formula of RefChem:326257?
The molecular formula of RefChem:326257 is C14H18Cl3NS.
What is the molecular weight of RefChem:326257?
The molecular weight of RefChem:326257 is 337.02 g/mol.
Where can I buy RefChem:326257?
You can request a quote for RefChem:326257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326257?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.