RefChem:326273
TL;DR: RefChem:326273 (CAS 17512-45-7) is a chemical compound with molecular formula C15H20Cl3NS and molecular weight 351.04 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)-2-methylpropan-2-amine;hydrochloride
Also Known As: Benzo(b)thiophene-3-methylamine, N-tert-butyl-5-chloro-N-(2-chloroethyl)-, hydrochloride, N-tert-Butyl-5-chloro-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride, Benzo(b)thiophene-3-methanamine, 5-chloro-N-(2-chloroethyl)-N-(1,1-dimethylethyl)-, HCl, N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)-2-methylpropan-2-amine hydrochloride, N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)-2-methylpropan-2-amine--hydrogen chloride (1/1)
| Molecular Formula | C15H20Cl3NS |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 5.8158 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.0382 |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 17512-45-7 |
|---|---|
| SMILES | CC(C)(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)Cl.Cl |
| InChIKey | MVUDHSXUTYZJQV-UHFFFAOYSA-N |
Product Overview
RefChem:326273 (CAS 17512-45-7), with molecular formula C15H20Cl3NS and molecular weight 351.04 g/mol. IUPAC: N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)-2-methylpropan-2-amine;hydrochloride.
Chemical Property Profile of RefChem:326273
Property Insights of RefChem:326273
The XLogP value of 5.8158 indicates that RefChem:326273 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:326273 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326273 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:326273?
The CAS number of RefChem:326273 is 17512-45-7.
What is the molecular formula of RefChem:326273?
The molecular formula of RefChem:326273 is C15H20Cl3NS.
What is the molecular weight of RefChem:326273?
The molecular weight of RefChem:326273 is 351.04 g/mol.
Where can I buy RefChem:326273?
You can request a quote for RefChem:326273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326273?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.