![1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol structure](/static/products/3590/3590-48-5.webp)
1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol
TL;DR: 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol (CAS 3590-48-5) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)ethanol
Also Known As: KST-1B3546, 1-[4-(methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol, 1-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)ethanol, 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethan-1-ol, 1,2,4-Triazin-5(4H)-one,3-(methylthio)-4-nitroso-6-phenyl
| Molecular Formula | C15H15NO3S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.07727 |
| Heavy Atoms | 20 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 3590-48-5 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])O |
| InChIKey | CPRBFIMOFKNHLQ-UHFFFAOYSA-N |
Product Overview
1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol (CAS 3590-48-5), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: 1-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)ethanol.
Chemical Property Profile of 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol
Property Insights of 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol
The XLogP value of 3.4 indicates that 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol. Following Lipinski's Rule of Five, 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol has 1 hydrogen bond donor(s) and 4 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 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol?
The CAS number of 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol is 3590-48-5.
What is the molecular formula of 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol?
The molecular formula of 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol is C15H15NO3S.
What is the molecular weight of 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol?
The molecular weight of 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol is 289.08 g/mol.
Where can I buy 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol?
You can request a quote for 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Methylsulfanyl)phenyl]-2-(4-nitrophenyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.