Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-
TL;DR: Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- (CAS 173095-38-0) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2,4-dioxo-N-(1,2,4-triazol-4-yl)butanamide
Also Known As: Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-, alpha,gamma-Dioxo-4-methyl-N-4H-1,2,4-triazol-4-ylbenzenebutanamide, 4-(4-methylphenyl)-2,4-dioxo-N-(1,2,4-triazol-4-yl)butanamide, 4-(4-Methylphenyl)-2,4-dioxo-N-(4H-1,2,4-triazol-4-yl)butanamide, RefChem:324374
| Molecular Formula | C13H12N4O3 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 0.49872 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.09094 |
| Heavy Atoms | 20 |
| Complexity | 632.1457 |
Chemical Identifiers
| CAS Number | 173095-38-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NN2C=NN=C2 |
Product Overview
Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- (CAS 173095-38-0), with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol. IUPAC: 4-(4-methylphenyl)-2,4-dioxo-N-(1,2,4-triazol-4-yl)butanamide.
Chemical Property Profile of Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-
Property Insights of Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-
The XLogP value of 0.49872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-. Following Lipinski's Rule of Five, Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- has 1 hydrogen bond donor(s) and 5 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 Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-?
The CAS number of Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- is 173095-38-0.
What is the molecular formula of Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-?
The molecular formula of Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- is C13H12N4O3.
What is the molecular weight of Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-?
The molecular weight of Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- is 272.09 g/mol.
Where can I buy Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-?
You can request a quote for Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanamide, alpha,gamma-dioxo-4-methyl-N-4H-1,2,4-triazol-4-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.