![Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate structure](/static/products/5225/522595-28-4.webp)
Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate
TL;DR: Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate (CAS 522595-28-4) is a chemical compound with molecular formula C13H14Cl2N2O2S and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-amino-2-[(2,5-dichlorophenyl)carbamothioyl]but-2-enoate
Also Known As: ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate, ethyl (Z)-3-amino-2-[(2,5-dichlorophenyl)carbamothioyl]but-2-enoate, ethyl (2Z)-3-amino-2-[(2,5-dichlorophenyl)carbamothioyl]but-2-enoate, ethyl (2Z)-3-amino-2-{[(2,5-dichlorophenyl)amino]thioxomethyl}but-2-enoate
| Molecular Formula | C13H14Cl2N2O2S |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 3.5285 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.0153 |
| Heavy Atoms | 20 |
| Complexity | 569.4896 |
Chemical Identifiers
| CAS Number | 522595-28-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C(\C)/N)/C(=S)NC1=C(C=CC(=C1)Cl)Cl |
Product Overview
Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate (CAS 522595-28-4), with molecular formula C13H14Cl2N2O2S and molecular weight 332.02 g/mol. IUPAC: ethyl (Z)-3-amino-2-[(2,5-dichlorophenyl)carbamothioyl]but-2-enoate.
Chemical Property Profile of Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate
Property Insights of Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate
The XLogP value of 3.5285 indicates that Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate. Following Lipinski's Rule of Five, Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate 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-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate?
The CAS number of Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate is 522595-28-4.
What is the molecular formula of Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate?
The molecular formula of Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate is C13H14Cl2N2O2S.
What is the molecular weight of Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate?
The molecular weight of Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate is 332.02 g/mol.
Where can I buy Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate?
You can request a quote for Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-2-[(2,5-dichloroanilino)carbothioyl]-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.