![[2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate structure](/static/products/7006/7006-69-1.webp)
[2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate
TL;DR: [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate (CAS 7006-69-1) is a chemical compound with molecular formula C11H8Br2N4O3 and molecular weight 401.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] acetate
Also Known As: [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate, 2,4-Dibromo-6-[(4H-1,2,4-triazol-4-yl)carbamoyl]phenyl acetate
| Molecular Formula | C11H8Br2N4O3 |
|---|---|
| Molecular Weight | 401.90 g/mol |
| LogP | 2.1123 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.89633 |
| Heavy Atoms | 20 |
| Complexity | 657.93787 |
Chemical Identifiers
| CAS Number | 7006-69-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)Br)C(=O)NN2C=NN=C2 |
Product Overview
[2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate (CAS 7006-69-1), with molecular formula C11H8Br2N4O3 and molecular weight 401.90 g/mol. IUPAC: [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] acetate.
Chemical Property Profile of [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate
Property Insights of [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate
The XLogP value of 2.1123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate. Following Lipinski's Rule of Five, [2,4-dibromo-6-(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 [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate?
The CAS number of [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate is 7006-69-1.
What is the molecular formula of [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate?
The molecular formula of [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate is C11H8Br2N4O3.
What is the molecular weight of [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate?
The molecular weight of [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate is 401.90 g/mol.
Where can I buy [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate?
You can request a quote for [2,4-dibromo-6-(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 [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate?
Yes, KEHONG BIO provides custom synthesis services for [2,4-dibromo-6-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.