2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine
TL;DR: 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine (CAS 64118-63-4) is a chemical compound with molecular formula C13H21Cl2NOS and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-butoxy-3-chlorophenyl)methylsulfanyl]ethanamine;hydrochloride
Also Known As: 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine, 2-((4-butoxy-3-chlorobenzyl)thio)ethanamine hydrochloride, 2-[(4-butoxy-3-chloro-phenyl)methylsulfanyl]ethanamine Hydrochloride, 2-[(4-butoxy-3-chlorophenyl)methylsulfanyl]ethanamine hydrochloride, Cambridge id 5705590
| Molecular Formula | C13H21Cl2NOS |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 4.1326 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.07208 |
| Heavy Atoms | 18 |
| Complexity | 336.76733 |
Chemical Identifiers
| CAS Number | 64118-63-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)CSCCN)Cl.Cl |
Product Overview
2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine (CAS 64118-63-4), with molecular formula C13H21Cl2NOS and molecular weight 309.07 g/mol. IUPAC: 2-[(4-butoxy-3-chlorophenyl)methylsulfanyl]ethanamine;hydrochloride.
Chemical Property Profile of 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine
Property Insights of 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine
The XLogP value of 4.1326 indicates that 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine has 1 hydrogen bond donor(s) and 3 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 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine?
The CAS number of 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine is 64118-63-4.
What is the molecular formula of 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine?
The molecular formula of 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine is C13H21Cl2NOS.
What is the molecular weight of 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine?
The molecular weight of 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine is 309.07 g/mol.
Where can I buy 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine?
You can request a quote for 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Butoxy-3-chloro-benzylsulfanyl)-ethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.