4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 57735-14-5) is a chemical compound with molecular formula C14H12N4O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-phenyl-1H-1,2,4-triazol-5-one
Also Known As: 4-anilino-3-phenyl-1H-1,2,4-triazol-5-one, NCI60_027196, 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 3-Phenyl-4-(phenylamino)-1H-1,2,4-triazol-5(4H)-one, 3-Phenyl-4-anilino-4,5(1H)-dihydro-1,2,4-triazole-5-one
| Molecular Formula | C14H12N4O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.1011 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 57735-14-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=O)N2NC3=CC=CC=C3 |
| InChIKey | YYVYJIBWMYCEGR-UHFFFAOYSA-N |
Product Overview
4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 57735-14-5), with molecular formula C14H12N4O and molecular weight 252.10 g/mol. IUPAC: 4-anilino-3-phenyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 56.7 Ų, 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one 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 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 57735-14-5.
What is the molecular formula of 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C14H12N4O.
What is the molecular weight of 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 252.10 g/mol.
Where can I buy 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.