Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
TL;DR: Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 119228-52-3) is a chemical compound with molecular formula C17H13N5O6S and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-, ((5-(3,5-Dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, {[5-(3,5-Dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-[[5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid, RefChem:316023
| Molecular Formula | C17H13N5O6S |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 3.23582 |
| Topological Polar Surface Area | 154.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.05865 |
| Heavy Atoms | 29 |
| Complexity | 1097.0013 |
Chemical Identifiers
| CAS Number | 119228-52-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=C2SCC(=O)O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 119228-52-3), with molecular formula C17H13N5O6S and molecular weight 415.06 g/mol. IUPAC: 2-[[5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
Property Insights of Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-
The XLogP value of 3.23582 indicates that Acetic acid, ((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 Acetic acid, ((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, Acetic acid, ((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 Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
The CAS number of Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- is 119228-52-3.
What is the molecular formula of Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular formula of Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- is C17H13N5O6S.
What is the molecular weight of Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular weight of Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)- is 415.06 g/mol.
Where can I buy Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
You can request a quote for Acetic acid, ((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 Acetic acid, ((5-(3,5-dinitrophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((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.