Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate
TL;DR: Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate (CAS 338794-89-1) is a chemical compound with molecular formula C12H13Cl2N3O3 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-[(2,4-dichlorobenzoyl)hydrazinylidene]propanoate
Also Known As: ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate, ethyl 3-[(2,4-dichlorophenyl)formohydrazido]-3-iminopropanoate, ethyl 3-amino-3-[(2,4-dichlorobenzoyl)hydrazinylidene]propanoate, ethyl 3-amino-3-[(2,4-dichlorobenzoyl)hydrazono]propanoate, Ethyl 2-[N'-[(2,4-dichlorobenzoyl)amino]carbamimidoyl]acetate
| Molecular Formula | C12H13Cl2N3O3 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 1.9486 |
| Topological Polar Surface Area | 93.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0334 |
| Heavy Atoms | 20 |
| Complexity | 546.74915 |
Chemical Identifiers
| CAS Number | 338794-89-1 |
|---|---|
| SMILES | CCOC(=O)CC(=NNC(=O)C1=C(C=C(C=C1)Cl)Cl)N |
Product Overview
Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate (CAS 338794-89-1), with molecular formula C12H13Cl2N3O3 and molecular weight 317.03 g/mol. IUPAC: ethyl 3-amino-3-[(2,4-dichlorobenzoyl)hydrazinylidene]propanoate.
Chemical Property Profile of Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate
Property Insights of Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate
The XLogP value of 1.9486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate. The TPSA of 93.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate. Following Lipinski's Rule of Five, Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate 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 Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate?
The CAS number of Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate is 338794-89-1.
What is the molecular formula of Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate?
The molecular formula of Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate is C12H13Cl2N3O3.
What is the molecular weight of Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate?
The molecular weight of Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate is 317.03 g/mol.
Where can I buy Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate?
You can request a quote for Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[2-(2,4-dichlorobenzoyl)hydrazino]-3-iminopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.