4-苯基-1,2,4-三唑啉-3,5-二酮
TL;DR: 4-苯基-1,2,4-三唑啉-3,5-二酮 (CAS 4233-33-4) is a chemical compound with molecular formula C8H5N3O2 and molecular weight 175.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯基-1,2,4-三唑啉-3,5-二酮
4-phenyl-1,2,4-triazole-3,5-dione
Also Known As: 4-Phenyl-1,2,4-triazoline-3,5-dione, PTAD, 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione, 4-Phenylurazole, 4-Phenyldehydrourazole
| Molecular Formula | C8H5N3O2 |
|---|---|
| Molecular Weight | 175.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.03818 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
| Solubility | 11.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4233-33-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N=NC2=O |
| InChIKey | ISULLEUFOQSBGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯基-1,2,4-三唑啉-3,5-二酮 (CAS 4233-33-4), with molecular formula C8H5N3O2 and molecular weight 175.04 g/mol. IUPAC: 4-phenyl-1,2,4-triazole-3,5-dione.
Chemical Property Profile of 4-苯基-1,2,4-三唑啉-3,5-二酮
Property Insights of 4-苯基-1,2,4-三唑啉-3,5-二酮
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯基-1,2,4-三唑啉-3,5-二酮. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-苯基-1,2,4-三唑啉-3,5-二酮. Following Lipinski's Rule of Five, 4-苯基-1,2,4-三唑啉-3,5-二酮 has 0 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-苯基-1,2,4-三唑啉-3,5-二酮?
The CAS number of 4-苯基-1,2,4-三唑啉-3,5-二酮 is 4233-33-4.
What is the molecular formula of 4-苯基-1,2,4-三唑啉-3,5-二酮?
The molecular formula of 4-苯基-1,2,4-三唑啉-3,5-二酮 is C8H5N3O2.
What is the molecular weight of 4-苯基-1,2,4-三唑啉-3,5-二酮?
The molecular weight of 4-苯基-1,2,4-三唑啉-3,5-二酮 is 175.04 g/mol.
Where can I buy 4-苯基-1,2,4-三唑啉-3,5-二酮?
You can request a quote for 4-苯基-1,2,4-三唑啉-3,5-二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯基-1,2,4-三唑啉-3,5-二酮?
Yes, KEHONG BIO provides custom synthesis services for 4-苯基-1,2,4-三唑啉-3,5-二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.