Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride
TL;DR: Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride (CAS 54767-49-6) is a chemical compound with molecular formula C14H24ClNOS and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-1-(4-methylsulfanylphenyl)propan-1-ol;hydrochloride
Also Known As: Benzyl alcohol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride, alpha-(1-(Butylamino)ethyl)-4-(methylthio)benzenemethanol hydrochloride, Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride, 2-(butylamino)-1-(4-methylsulfanylphenyl)propan-1-ol hydrochloride, 2-(Butylamino)-1-[4-(methylsulfanyl)phenyl]propan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C14H24ClNOS |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 3.6419 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.1267 |
| Heavy Atoms | 18 |
| Complexity | 318.07495 |
Chemical Identifiers
| CAS Number | 54767-49-6 |
|---|---|
| SMILES | CCCCNC(C)C(C1=CC=C(C=C1)SC)O.Cl |
Product Overview
Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride (CAS 54767-49-6), with molecular formula C14H24ClNOS and molecular weight 289.13 g/mol. IUPAC: 2-(butylamino)-1-(4-methylsulfanylphenyl)propan-1-ol;hydrochloride.
Chemical Property Profile of Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride
Property Insights of Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride
The XLogP value of 3.6419 indicates that Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride has 2 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 Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride?
The CAS number of Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride is 54767-49-6.
What is the molecular formula of Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride?
The molecular formula of Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride is C14H24ClNOS.
What is the molecular weight of Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride?
The molecular weight of Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride is 289.13 g/mol.
Where can I buy Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride?
You can request a quote for Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(methylthio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.