3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 62507-58-8) is a chemical compound with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole
Also Known As: 3-cetyl-10-butylisoalloxazine, 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole, 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-, 3-(3-METHOXY-PHENYL)-5-(4-NITRO-PHENYL)-4-PHENYL-4H-(1,2,4)TRIAZOLE
| Molecular Formula | C21H16N4O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 4.5181 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.12225 |
| Heavy Atoms | 28 |
| Complexity | 1122.118 |
Chemical Identifiers
| CAS Number | 62507-58-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole (CAS 62507-58-8), with molecular formula C21H16N4O3 and molecular weight 372.12 g/mol. IUPAC: 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 4.5181 indicates that 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole 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 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole is 62507-58-8.
What is the molecular formula of 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole is C21H16N4O3.
What is the molecular weight of 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole is 372.12 g/mol.
Where can I buy 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.