![[4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate structure](/static/products/329/329930-55-4.png)
[4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate
TL;DR: [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate (CAS 329930-55-4) is a chemical compound with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,2,4-triazol-4-ylcarbamoyl)phenyl] acetate
Also Known As: BAS 00854567, [4-(1,2,4-triazol-4-ylcarbamoyl)phenyl] acetate, 4-(4H-1,2,4-triazol-4-ylcarbamoyl)phenyl acetate, Acetic acid 4-([1,2,4]triazol-4-ylcarbamoyl)-phenyl ester, [4-(1,2,4-triazol-4-ylcarbamoyl)phenyl] ethanoate
| Molecular Formula | C11H10N4O3 |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.07529 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 329930-55-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)NN2C=NN=C2 |
| InChIKey | HRYMCLQUMLJVKG-UHFFFAOYSA-N |
Product Overview
[4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate (CAS 329930-55-4), with molecular formula C11H10N4O3 and molecular weight 246.08 g/mol. IUPAC: [4-(1,2,4-triazol-4-ylcarbamoyl)phenyl] acetate.
Chemical Property Profile of [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate
Property Insights of [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate. Following Lipinski's Rule of Five, [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate 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 [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate?
The CAS number of [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate is 329930-55-4.
What is the molecular formula of [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate?
The molecular formula of [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate is C11H10N4O3.
What is the molecular weight of [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate?
The molecular weight of [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate is 246.08 g/mol.
Where can I buy [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate?
You can request a quote for [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.