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Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 429641-95-2) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoate
Also Known As: AB00110980-01, ethyl 4-(3-(3,5-dimethoxybenzoyl)thioureido)benzoate, ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate, ethyl 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 3.0073 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 814.2437 |
Chemical Identifiers
| CAS Number | 429641-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC |
Product Overview
Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 429641-95-2), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: ethyl 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 3.0073 indicates that Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 6 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 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 429641-95-2.
What is the molecular formula of Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C19H20N2O5S.
What is the molecular weight of Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 388.11 g/mol.
Where can I buy Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.