![Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester structure](/static/products/3317/33174-25-3.webp)
Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester
TL;DR: Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester (CAS 33174-25-3) 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.
methyl 4-(4-nitrophenyl)sulfanylbenzoate
Also Known As: Methyl 4-(4-nitrophenyl)sulfanylbenzoate, methyl 4-(4-nitrophenylthio)benzoate, Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester, Benzoicacid,4-[(4-nitrophenyl)thio]-,methylester
| Molecular Formula | C14H11NO4S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.5326 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0409 |
| Heavy Atoms | 20 |
| Complexity | 622.6271 |
Chemical Identifiers
| CAS Number | 33174-25-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester (CAS 33174-25-3), with molecular formula C14H11NO4S and molecular weight 289.04 g/mol. IUPAC: methyl 4-(4-nitrophenyl)sulfanylbenzoate.
Chemical Property Profile of Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester
Property Insights of Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester
The XLogP value of 3.5326 indicates that Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester has 0 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 Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester?
The CAS number of Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester is 33174-25-3.
What is the molecular formula of Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester?
The molecular formula of Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester is C14H11NO4S.
What is the molecular weight of Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester?
The molecular weight of Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester is 289.04 g/mol.
Where can I buy Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester?
You can request a quote for Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(4-nitrophenyl)thio]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.