Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride
TL;DR: Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride (CAS 100482-77-7) 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-N-(2-phenylsulfanylphenoxy)butan-1-amine;hydrochloride
Also Known As: Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride, N-Methyl-4-(o-(phenylthio)phenoxy)butylamine hydrochloride, 1-(4-(Methylamino)butoxy)-2-(phenylthio)benzene hydrochloride, n-methyl-n-(2-(phenylsulfanyl)phenoxy)-1-butanamine hcl, N-Methyl-N-[2-(phenylsulfanyl)phenoxy]-1-butanamine hydrochloride
| Molecular Formula | C17H22ClNOS |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 5.2853 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.11105 |
| Heavy Atoms | 21 |
| Complexity | 521.2084 |
Chemical Identifiers
| CAS Number | 100482-77-7 |
|---|---|
| SMILES | CCCCN(C)OC1=CC=CC=C1SC2=CC=CC=C2.Cl |
Product Overview
Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride (CAS 100482-77-7), with molecular formula C17H22ClNOS and molecular weight 323.11 g/mol. IUPAC: N-methyl-N-(2-phenylsulfanylphenoxy)butan-1-amine;hydrochloride.
Chemical Property Profile of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride
Property Insights of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride
The XLogP value of 5.2853 indicates that Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride?
The CAS number of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride is 100482-77-7.
What is the molecular formula of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride?
The molecular formula of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride is C17H22ClNOS.
What is the molecular weight of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride?
The molecular weight of Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride is 323.11 g/mol.
Where can I buy Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride?
You can request a quote for Butylamine, N-methyl-4-(o-(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 Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butylamine, N-methyl-4-(o-(phenylthio)phenoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.