4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
TL;DR: 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide (CAS 333431-72-4) is a chemical compound with molecular formula C11H11N5O2 and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-N-(1,2,4-triazol-4-yl)benzamide
Also Known As: 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide, 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide, N-[4-(N-(1,2,4-triazol-4-yl)carbamoyl)phenyl]acetamide, RUV
| Molecular Formula | C11H11N5O2 |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.09128 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 333431-72-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)NN2C=NN=C2 |
| InChIKey | AGTLIJXMGDFIBI-UHFFFAOYSA-N |
Product Overview
4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide (CAS 333431-72-4), with molecular formula C11H11N5O2 and molecular weight 245.09 g/mol. IUPAC: 4-acetamido-N-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
Property Insights of 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
The XLogP value of -0.1 indicates that 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide. Following Lipinski's Rule of Five, 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide has 2 hydrogen bond donor(s) and 4 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-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide?
The CAS number of 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide is 333431-72-4.
What is the molecular formula of 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular formula of 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide is C11H11N5O2.
What is the molecular weight of 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular weight of 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide is 245.09 g/mol.
Where can I buy 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide?
You can request a quote for 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.