1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
TL;DR: 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea (CAS 35224-67-0) is a chemical compound with molecular formula C9H8ClN5O and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
Also Known As: 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea, NCIStruc1_000741, NCIStruc2_000946, N-(3-chlorophenyl)-N'-(4H-1,2,4-triazol-4-yl)urea, 1-(3-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
| Molecular Formula | C9H8ClN5O |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.04173 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 35224-67-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)NN2C=NN=C2 |
| InChIKey | UOWPKVIDUNKFOK-UHFFFAOYSA-N |
Product Overview
1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea (CAS 35224-67-0), with molecular formula C9H8ClN5O and molecular weight 237.04 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea.
Chemical Property Profile of 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
Property Insights of 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chlorophenyl)-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-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea. Following Lipinski's Rule of Five, 1-(3-chlorophenyl)-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-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea?
The CAS number of 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea is 35224-67-0.
What is the molecular formula of 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea?
The molecular formula of 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea is C9H8ClN5O.
What is the molecular weight of 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea?
The molecular weight of 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea is 237.04 g/mol.
Where can I buy 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea?
You can request a quote for 1-(3-chlorophenyl)-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-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.