![4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid structure](/static/products/2199/219929-89-2.webp)
4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid
TL;DR: 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid (CAS 219929-89-2) is a chemical compound with molecular formula C14H11NO4S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid
Also Known As: 4-[(4-Methylphenyl)thio]-3-nitrobenzoic acid, Maybridge1_001490, 3-Nitro-4-(p-tolylthio)benzoic acid, 4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoic acid, 4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 219929-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | XXUBZSQLPIRCFW-UHFFFAOYSA-N |
Product Overview
4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid (CAS 219929-89-2), with molecular formula C14H11NO4S and molecular weight 289.04 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid
Property Insights of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid
The XLogP value of 3.7 indicates that 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 5 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-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid?
The CAS number of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid is 219929-89-2.
What is the molecular formula of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid?
The molecular formula of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid is C14H11NO4S.
What is the molecular weight of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid?
The molecular weight of 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid is 289.04 g/mol.
Where can I buy 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid?
You can request a quote for 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methylphenyl)sulfanyl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.