4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione
TL;DR: 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione (CAS 52039-91-5) is a chemical compound with molecular formula C8H6ClN3O2 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-1,2,4-triazolidine-3,5-dione
Also Known As: 4-(3-chlorophenyl)-1,2,4-triazolidine-3,5-dione, 4-(3-chlorophenyl) urazole, ZERO/004546, 4-(3-Chlorophenyl)-4H-1,2,4-triazole-3,5-diol, 1,2,4-Triazolidine-3,5-dione, 4-(3-chlorophenyl)-
| Molecular Formula | C8H6ClN3O2 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 0.5073 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.01485 |
| Heavy Atoms | 14 |
| Complexity | 538.7056 |
Chemical Identifiers
| CAS Number | 52039-91-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C(=O)NNC2=O |
Product Overview
4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione (CAS 52039-91-5), with molecular formula C8H6ClN3O2 and molecular weight 211.01 g/mol. IUPAC: 4-(3-chlorophenyl)-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione
Property Insights of 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione
The XLogP value of 0.5073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione. Following Lipinski's Rule of Five, 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione has 2 hydrogen bond donor(s) and 2 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 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione?
The CAS number of 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione is 52039-91-5.
What is the molecular formula of 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione?
The molecular formula of 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione is C8H6ClN3O2.
What is the molecular weight of 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione?
The molecular weight of 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione is 211.01 g/mol.
Where can I buy 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione?
You can request a quote for 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.