![[[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate structure](/static/products/4000/400086-34-2.webp)
[[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate
TL;DR: [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate (CAS 400086-34-2) is a chemical compound with molecular formula C11H9Cl2N5O2 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate
Also Known As: [[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate, [1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino 2,4-dichlorobenzoate, N'-[(2,4-dichlorobenzoyl)oxy]-2-(1H-1,2,4-triazol-1-yl)ethanimidamide
| Molecular Formula | C11H9Cl2N5O2 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 1.7141 |
| Topological Polar Surface Area | 95.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.01334 |
| Heavy Atoms | 20 |
| Complexity | 642.26794 |
Chemical Identifiers
| CAS Number | 400086-34-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)ON=C(CN2C=NC=N2)N |
Product Overview
[[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate (CAS 400086-34-2), with molecular formula C11H9Cl2N5O2 and molecular weight 313.01 g/mol. IUPAC: [[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate.
Chemical Property Profile of [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate
Property Insights of [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate
The XLogP value of 1.7141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate. The TPSA of 95.39 Ų falls within the moderate polarity range, balancing permeability and solubility for [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate 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 [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate?
The CAS number of [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate is 400086-34-2.
What is the molecular formula of [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate?
The molecular formula of [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate is C11H9Cl2N5O2.
What is the molecular weight of [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate?
The molecular weight of [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate is 313.01 g/mol.
Where can I buy [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate?
You can request a quote for [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [[1-Amino-2-(1,2,4-triazol-1-yl)ethylidene]amino] 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.