1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea
TL;DR: 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea (CAS 55163-91-2) is a chemical compound with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-(1,2,4-triazol-4-yl)urea
Also Known As: ETHYL THIOGLYCOLATE SODIUM SALT, 1-(4-nitrophenyl)-3-(1,2,4-triazol-4-yl)urea, NCI60_034287, AS-871/42611222, 1-(4-nitrophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
| Molecular Formula | C9H8N6O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.06578 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 55163-91-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NN2C=NN=C2)[N+](=O)[O-] |
| InChIKey | WXDUQXBMDFVQDS-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea (CAS 55163-91-2), with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol. IUPAC: 1-(4-nitrophenyl)-3-(1,2,4-triazol-4-yl)urea.
Chemical Property Profile of 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea
Property Insights of 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea has 2 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)-3-(1,2,4-triazol-4-yl)urea?
The CAS number of 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea is 55163-91-2.
What is the molecular formula of 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea?
The molecular formula of 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea is C9H8N6O3.
What is the molecular weight of 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea?
The molecular weight of 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea is 248.07 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea?
You can request a quote for 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea 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)-3-(1,2,4-triazol-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3-(1,2,4-triazol-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.