4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol
TL;DR: 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol (CAS 54790-00-0) is a chemical compound with molecular formula C21H29NOS and molecular weight 343.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenylpropan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
Also Known As: 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol, Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)-, 2-(1-phenylpropan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol, 2-[(1-Phenylpropan-2-yl)amino]-1-{4-[(propan-2-yl)sulfanyl]phenyl}propan-1-ol, RefChem:324928
| Molecular Formula | C21H29NOS |
|---|---|
| Molecular Weight | 343.20 g/mol |
| LogP | 4.8298 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.197 |
| Heavy Atoms | 24 |
| Complexity | 596.9956 |
Chemical Identifiers
| CAS Number | 54790-00-0 |
|---|---|
| SMILES | CC(C)SC1=CC=C(C=C1)C(C(C)NC(C)CC2=CC=CC=C2)O |
Product Overview
4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol (CAS 54790-00-0), with molecular formula C21H29NOS and molecular weight 343.20 g/mol. IUPAC: 2-(1-phenylpropan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol.
Chemical Property Profile of 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol
Property Insights of 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol
The XLogP value of 4.8298 indicates that 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol 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 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol?
The CAS number of 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol is 54790-00-0.
What is the molecular formula of 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol?
The molecular formula of 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol is C21H29NOS.
What is the molecular weight of 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol?
The molecular weight of 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol is 343.20 g/mol.
Where can I buy 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol?
You can request a quote for 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.