1H-1,2,4-Triazole, 5-(p-ureidophenyl)-
TL;DR: 1H-1,2,4-Triazole, 5-(p-ureidophenyl)- (CAS 3458-01-3) 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.
[4-(1H-1,2,4-triazol-5-yl)phenyl]urea
Also Known As: N-[4- phenyl]urea, p-(s-Triazol-5-yl)phenylurea, 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-, 5-(p-Ureidophenyl)-1H-1,2,4-triazole, Urea, 1-(p-(1H-1,2,4-triazol-5-yl)phenyl)-
| Molecular Formula | C9H9N5O |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.0807 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 3458-01-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=NN2)NC(=O)N |
| InChIKey | FMJKXQFSKJQESD-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 5-(p-ureidophenyl)- (CAS 3458-01-3), with molecular formula C9H9N5O and molecular weight 203.08 g/mol. IUPAC: [4-(1H-1,2,4-triazol-5-yl)phenyl]urea.
Chemical Property Profile of 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-
Property Insights of 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 5-(p-ureidophenyl)- has 3 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 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-?
The CAS number of 1H-1,2,4-Triazole, 5-(p-ureidophenyl)- is 3458-01-3.
What is the molecular formula of 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-?
The molecular formula of 1H-1,2,4-Triazole, 5-(p-ureidophenyl)- is C9H9N5O.
What is the molecular weight of 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-?
The molecular weight of 1H-1,2,4-Triazole, 5-(p-ureidophenyl)- is 203.08 g/mol.
Where can I buy 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-?
You can request a quote for 1H-1,2,4-Triazole, 5-(p-ureidophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 5-(p-ureidophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 5-(p-ureidophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.