4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate
TL;DR: 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate (CAS 477732-38-0) is a chemical compound with molecular formula C17H15Cl2N3O3S and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Also Known As: 4-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 2,4-DICHLOROBENZOATE, [4-[(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 2,4-dichlorobenzoate, 647-502-1, RefChem:511919
| Molecular Formula | C17H15Cl2N3O3S |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 3.7784 |
| Topological Polar Surface Area | 85.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.02112 |
| Heavy Atoms | 26 |
| Complexity | 859.1419 |
Chemical Identifiers
| CAS Number | 477732-38-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=S)N)OC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate (CAS 477732-38-0), with molecular formula C17H15Cl2N3O3S and molecular weight 411.02 g/mol. IUPAC: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate.
Chemical Property Profile of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate
Property Insights of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate
The XLogP value of 3.7784 indicates that 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate has 2 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-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate?
The CAS number of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate is 477732-38-0.
What is the molecular formula of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate?
The molecular formula of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate is C17H15Cl2N3O3S.
What is the molecular weight of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate?
The molecular weight of 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate is 411.02 g/mol.
Where can I buy 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate?
You can request a quote for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 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 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Aminocarbothioyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.