Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride
TL;DR: Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride (CAS 55301-99-0) is a chemical compound with molecular formula C16H20ClNS and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-benzylsulfanylphenyl)methyl]ethanamine;hydrochloride
Also Known As: N-Ethyl-4-(benzylthio)benzylamine hydrochloride, Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride, n-ethyl-4-(benzylthio)benzenemethanamine hydrochloride, N-Ethyl-4-((phenylmethyl)thio)benzenemethanamine hydrochloride, N-[(4-benzylsulfanylphenyl)methyl]ethanamine hydrochloride
| Molecular Formula | C16H20ClNS |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 4.5102 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.1005 |
| Heavy Atoms | 19 |
| Complexity | 455.93497 |
Chemical Identifiers
| CAS Number | 55301-99-0 |
|---|---|
| SMILES | CCNCC1=CC=C(C=C1)SCC2=CC=CC=C2.Cl |
Product Overview
Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride (CAS 55301-99-0), with molecular formula C16H20ClNS and molecular weight 293.10 g/mol. IUPAC: N-[(4-benzylsulfanylphenyl)methyl]ethanamine;hydrochloride.
Chemical Property Profile of Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride
Property Insights of Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride
The XLogP value of 4.5102 indicates that Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride has 1 hydrogen bond donor(s) and 2 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 Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride?
The CAS number of Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride is 55301-99-0.
What is the molecular formula of Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride?
The molecular formula of Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride is C16H20ClNS.
What is the molecular weight of Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride?
The molecular weight of Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride is 293.10 g/mol.
Where can I buy Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride?
You can request a quote for Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-ethyl-4-((phenylmethyl)thio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.