![3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid structure](/static/products/1752/175278-52-1.webp)
3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid
TL;DR: 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid (CAS 175278-52-1) is a chemical compound with molecular formula C15H10ClNO4S and molecular weight 335.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid
Also Known As: 3-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]acrylic acid, 3-{4-[(4-chlorophenyl)thio]-3-nitrophenyl}acrylic acid, 3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid, 3-(4-(4-Chlorophenylthio)-3-nitrophenyl)acrylic acid, 2-Propenoic acid,3-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-
| Molecular Formula | C15H10ClNO4S |
|---|---|
| Molecular Weight | 335.00 g/mol |
| LogP | 4.4972 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0019 |
| Heavy Atoms | 22 |
| Complexity | 743.7077 |
Chemical Identifiers
| CAS Number | 175278-52-1 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-])Cl |
Product Overview
3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid (CAS 175278-52-1), with molecular formula C15H10ClNO4S and molecular weight 335.00 g/mol. IUPAC: 3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid
Property Insights of 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid
The XLogP value of 4.4972 indicates that 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid. Following Lipinski's Rule of Five, 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid 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 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid?
The CAS number of 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid is 175278-52-1.
What is the molecular formula of 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid?
The molecular formula of 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid is C15H10ClNO4S.
What is the molecular weight of 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid?
The molecular weight of 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid is 335.00 g/mol.
Where can I buy 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid?
You can request a quote for 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[(4-Chlorophenyl)thio]-3-nitrophenyl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.