Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride
TL;DR: Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride (CAS 54767-45-2) is a chemical compound with molecular formula C16H28ClNOS and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
Also Known As: Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride, 4-((1-Methylethyl)thio)-alpha-(1-((1-methylpropyl)amino)ethyl)benzenemethanol hydrochloride, Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-((1-methylpropyl)amino)ethyl)-, hydrochloride, 2-(butan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol hydrochloride, 2-[(Butan-2-yl)amino]-1-{4-[(propan-2-yl)sulfanyl]phenyl}propan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C16H28ClNOS |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 4.4189 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.15802 |
| Heavy Atoms | 20 |
| Complexity | 369.24454 |
Chemical Identifiers
| CAS Number | 54767-45-2 |
|---|---|
| SMILES | CCC(C)NC(C)C(C1=CC=C(C=C1)SC(C)C)O.Cl |
Product Overview
Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride (CAS 54767-45-2), with molecular formula C16H28ClNOS and molecular weight 317.16 g/mol. IUPAC: 2-(butan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride.
Chemical Property Profile of Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride
Property Insights of Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride
The XLogP value of 4.4189 indicates that Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, 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, Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, 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 Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride?
The CAS number of Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride is 54767-45-2.
What is the molecular formula of Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride?
The molecular formula of Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride is C16H28ClNOS.
What is the molecular weight of Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride?
The molecular weight of Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride is 317.16 g/mol.
Where can I buy Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride?
You can request a quote for Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl alcohol, alpha-(1-(sec-butylamino)ethyl)-4-(isopropylthio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.