1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride
TL;DR: 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride (CAS 62232-61-5) is a chemical compound with molecular formula C17H22ClNOS and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-(2-phenylsulfanylphenoxy)butan-1-amine;hydrochloride
Also Known As: 2-(4-Methylaminobutoxy)diphenylsulfide hydrochloride, 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride, N-Methyl-4-(2-(phenylthio)phenoxy)-1-butanamine hydrochloride, N-methyl-4-(2-phenylsulfanylphenoxy)butan-1-amine hydrochloride, N-Methyl-4-[2-(phenylsulfanyl)phenoxy]butan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C17H22ClNOS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 4.638 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.11105 |
| Heavy Atoms | 21 |
| Complexity | 507.1531 |
Chemical Identifiers
| CAS Number | 62232-61-5 |
|---|---|
| SMILES | CNCCCCOC1=CC=CC=C1SC2=CC=CC=C2.Cl |
Product Overview
1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride (CAS 62232-61-5), with molecular formula C17H22ClNOS and molecular weight 323.11 g/mol. IUPAC: N-methyl-4-(2-phenylsulfanylphenoxy)butan-1-amine;hydrochloride.
Chemical Property Profile of 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride
Property Insights of 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride
The XLogP value of 4.638 indicates that 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride 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 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride?
The CAS number of 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride is 62232-61-5.
What is the molecular formula of 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride?
The molecular formula of 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride is C17H22ClNOS.
What is the molecular weight of 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride?
The molecular weight of 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride is 323.11 g/mol.
Where can I buy 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride?
You can request a quote for 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanamine, N-methyl-4-(2-(phenylthio)phenoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.