4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
TL;DR: 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline (CAS 29214-50-4) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
Also Known As: 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline, BAS 01842629, 4-(5-phenyl-1H-1,2,4-triazol-3-yl)aniline, 4-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, 4-(3-phenyl-1H-1,2,4-triazol-5-yl)phenylamine
| Molecular Formula | C14H12N4 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.7209 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.1062 |
| Heavy Atoms | 18 |
| Complexity | 641.07056 |
Chemical Identifiers
| CAS Number | 29214-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=C(C=C3)N |
Product Overview
4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline (CAS 29214-50-4), with molecular formula C14H12N4 and molecular weight 236.11 g/mol. IUPAC: 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline.
Chemical Property Profile of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
Property Insights of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
The XLogP value of 2.7209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline. Following Lipinski's Rule of Five, 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline has 2 hydrogen bond donor(s) and 3 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 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
The CAS number of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline is 29214-50-4.
What is the molecular formula of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
The molecular formula of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline is C14H12N4.
What is the molecular weight of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
The molecular weight of 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline is 236.11 g/mol.
Where can I buy 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
You can request a quote for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.