1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole
TL;DR: 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole (CAS 114662-06-5) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-5-phenyl-4,5-dihydrotriazole
Also Known As: 1-(4-nitrophenyl)-5-phenyl-4,5-dihydrotriazole, KST-1A9927, 1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1h-1,2,3-triazole, 5-Phenyl-1-(4-nitro-phenyl)-1,2,3-triazolin, 1H-1,2,3-Triazole,4,5-dihydro-1-(4-nitrophenyl)-5-phenyl-
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 114662-06-5 |
|---|---|
| SMILES | C1C(N(N=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | PUWUPGKGBRTMOT-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole (CAS 114662-06-5), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 1-(4-nitrophenyl)-5-phenyl-4,5-dihydrotriazole.
Chemical Property Profile of 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole
Property Insights of 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole
The XLogP value of 3.6 indicates that 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole 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 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole?
The CAS number of 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole is 114662-06-5.
What is the molecular formula of 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole?
The molecular formula of 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole is C14H12N4O2.
What is the molecular weight of 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole?
The molecular weight of 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole is 268.10 g/mol.
Where can I buy 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole?
You can request a quote for 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-5-phenyl-4,5-dihydrotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.