![{2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid structure](/static/products/6694/66949-44-8.webp)
{2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid
TL;DR: {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid (CAS 66949-44-8) is a chemical compound with molecular formula C14H10ClNO4S and molecular weight 323.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)sulfanyl-4-nitrophenyl]acetic acid
Also Known As: {2-[(4-chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid, 2-[(4-Chlorophenyl)thio]-4-nitrobenzeneacetic acid, AE-641/30104006, 2-[2-(4-chlorophenyl)sulfanyl-4-nitrophenyl]acetic acid
| Molecular Formula | C14H10ClNO4S |
|---|---|
| Molecular Weight | 323.00 g/mol |
| LogP | 4.0265 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0019 |
| Heavy Atoms | 21 |
| Complexity | 687.8734 |
Chemical Identifiers
| CAS Number | 66949-44-8 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(C=CC(=C2)[N+](=O)[O-])CC(=O)O)Cl |
Product Overview
{2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid (CAS 66949-44-8), with molecular formula C14H10ClNO4S and molecular weight 323.00 g/mol. IUPAC: 2-[2-(4-chlorophenyl)sulfanyl-4-nitrophenyl]acetic acid.
Chemical Property Profile of {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid
Property Insights of {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid
The XLogP value of 4.0265 indicates that {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic 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 {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid. Following Lipinski's Rule of Five, {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic 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 {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid?
The CAS number of {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid is 66949-44-8.
What is the molecular formula of {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid?
The molecular formula of {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid is C14H10ClNO4S.
What is the molecular weight of {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid?
The molecular weight of {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid is 323.00 g/mol.
Where can I buy {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid?
You can request a quote for {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {2-[(4-Chlorophenyl)sulfanyl]-4-nitrophenyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.