Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride
TL;DR: Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride (CAS 16662-42-3) is a chemical compound with molecular formula C16H23Cl2NS and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine;hydrochloride
Also Known As: Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride, N-tert-Butyl-N-(2-chloroethyl)-6-methylbenzo(b)thiophene-3-methylamine hydrochloride, N-(2-chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride, N-(2-Chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine--hydrogen chloride (1/1), RefChem:326277
| Molecular Formula | C16H23Cl2NS |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 5.47082 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.09283 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 16662-42-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=CS2)CN(CCCl)C(C)(C)C.Cl |
| InChIKey | CDHPSQPUVPLBJZ-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride (CAS 16662-42-3), with molecular formula C16H23Cl2NS and molecular weight 331.09 g/mol. IUPAC: N-(2-chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine;hydrochloride.
Chemical Property Profile of Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride
Property Insights of Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride
The XLogP value of 5.47082 indicates that Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride 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 Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride?
The CAS number of Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride is 16662-42-3.
What is the molecular formula of Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride?
The molecular formula of Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride is C16H23Cl2NS.
What is the molecular weight of Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride?
The molecular weight of Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride is 331.09 g/mol.
Where can I buy Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride?
You can request a quote for Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.