(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
TL;DR: (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone (CAS 713097-30-4) is a chemical compound with molecular formula C15H11N5O3 and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone
Also Known As: (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone, 1-(3-nitrobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine, (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone
| Molecular Formula | C15H11N5O3 |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 2.124 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.08618 |
| Heavy Atoms | 23 |
| Complexity | 889.1378 |
Chemical Identifiers
| CAS Number | 713097-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone (CAS 713097-30-4), with molecular formula C15H11N5O3 and molecular weight 309.09 g/mol. IUPAC: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
Property Insights of (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
The XLogP value of 2.124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone has 1 hydrogen bond donor(s) and 6 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 (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The CAS number of (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is 713097-30-4.
What is the molecular formula of (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The molecular formula of (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is C15H11N5O3.
What is the molecular weight of (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The molecular weight of (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is 309.09 g/mol.
Where can I buy (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
You can request a quote for (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.