4-anilino-3-benzyl-1H-1,2,4-triazol-5-one
TL;DR: 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one (CAS 75989-69-4) is a chemical compound with molecular formula C15H14N4O and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-benzyl-1H-1,2,4-triazol-5-one
Also Known As: 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one, NCI60_026619, 3-Benzyl-4-(phenylamino)-1H-1,2,4-triazol-5(4H)-one, 4-Anilino-5-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-(phenylamino)-5-(phenylmethyl)-
| Molecular Formula | C15H14N4O |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.11676 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 75989-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(=O)N2NC3=CC=CC=C3 |
| InChIKey | KAXFASGJWJRXDX-UHFFFAOYSA-N |
Product Overview
4-anilino-3-benzyl-1H-1,2,4-triazol-5-one (CAS 75989-69-4), with molecular formula C15H14N4O and molecular weight 266.12 g/mol. IUPAC: 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one
Property Insights of 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 56.7 Ų, 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-anilino-3-benzyl-1H-1,2,4-triazol-5-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-3-benzyl-1H-1,2,4-triazol-5-one?
The CAS number of 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one is 75989-69-4.
What is the molecular formula of 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one?
The molecular formula of 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one is C15H14N4O.
What is the molecular weight of 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one?
The molecular weight of 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one is 266.12 g/mol.
Where can I buy 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one?
You can request a quote for 4-anilino-3-benzyl-1H-1,2,4-triazol-5-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-3-benzyl-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-anilino-3-benzyl-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.