alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride
TL;DR: alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride (CAS 54789-95-6) is a chemical compound with molecular formula C17H30ClNOS and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol;hydrochloride
Also Known As: alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride, Benzenemethanol, alpha-(1-(butylamino)propyl)-4-((1-methylethyl)thio)-, hydrochloride, 2-(butylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol hydrochloride, 2-(Butylamino)-1-{4-[(propan-2-yl)sulfanyl]phenyl}butan-1-ol--hydrogen chloride (1/1), RefChem:325030
| Molecular Formula | C17H30ClNOS |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 4.8106 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 331.17368 |
| Heavy Atoms | 21 |
| Complexity | 369.5578 |
Chemical Identifiers
| CAS Number | 54789-95-6 |
|---|---|
| SMILES | CCCCNC(CC)C(C1=CC=C(C=C1)SC(C)C)O.Cl |
Product Overview
alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride (CAS 54789-95-6), with molecular formula C17H30ClNOS and molecular weight 331.17 g/mol. IUPAC: 2-(butylamino)-1-(4-propan-2-ylsulfanylphenyl)butan-1-ol;hydrochloride.
Chemical Property Profile of alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride
Property Insights of alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride
The XLogP value of 4.8106 indicates that alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol 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, alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol 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 alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride?
The CAS number of alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride is 54789-95-6.
What is the molecular formula of alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride?
The molecular formula of alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride is C17H30ClNOS.
What is the molecular weight of alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride?
The molecular weight of alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride is 331.17 g/mol.
Where can I buy alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride?
You can request a quote for alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-(1-(Butylamino)propyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.