Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
TL;DR: Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 119228-56-7) is a chemical compound with molecular formula C22H15N5O6S and molecular weight 477.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]benzoic acid
Also Known As: Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-, 4-((5-(3,5-Dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)benzoic acid, 4-[[5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]benzoic acid, 4-{[5-(3,5-Dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}benzoic acid, RefChem:327335
| Molecular Formula | C22H15N5O6S |
|---|---|
| Molecular Weight | 477.07 g/mol |
| LogP | 4.90852 |
| Topological Polar Surface Area | 154.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.0743 |
| Heavy Atoms | 34 |
| Complexity | 1401.9833 |
Chemical Identifiers
| CAS Number | 119228-56-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SC3=CC=C(C=C3)C(=O)O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 119228-56-7), with molecular formula C22H15N5O6S and molecular weight 477.07 g/mol. IUPAC: 4-[[5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
Property Insights of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
The XLogP value of 4.90852 indicates that Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.29 Ų indicates high polarity, suggesting Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- has 1 hydrogen bond donor(s) and 8 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-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
The CAS number of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- is 119228-56-7.
What is the molecular formula of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular formula of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- is C22H15N5O6S.
What is the molecular weight of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular weight of Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- is 477.07 g/mol.
Where can I buy Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
You can request a quote for Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- 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-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.