1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea
TL;DR: 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea (CAS 35224-76-1) is a chemical compound with molecular formula C9H9N5O and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(1,2,4-triazol-4-yl)urea
Also Known As: 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea, N-phenyl-N'-(4H-1,2,4-triazol-4-yl)urea, 1-phenyl-3-(1,2,4-triazol-4-yl)urea, N-Phenyl-N'-4H-1,2,4-triazol-4-ylurea, BAS 01173785
| Molecular Formula | C9H9N5O |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.0807 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 35224-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NN2C=NN=C2 |
| InChIKey | DXOVRICRSZZUJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea (CAS 35224-76-1), with molecular formula C9H9N5O and molecular weight 203.08 g/mol. IUPAC: 1-phenyl-3-(1,2,4-triazol-4-yl)urea.
Chemical Property Profile of 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea
Property Insights of 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea. Following Lipinski's Rule of Five, 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea 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 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea?
The CAS number of 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea is 35224-76-1.
What is the molecular formula of 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea?
The molecular formula of 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea is C9H9N5O.
What is the molecular weight of 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea?
The molecular weight of 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea is 203.08 g/mol.
Where can I buy 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea?
You can request a quote for 1-phenyl-3-(4H-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-phenyl-3-(4H-1,2,4-triazol-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.