![Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate structure](/static/products/4333/433314-29-5.webp)
Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate
TL;DR: Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate (CAS 433314-29-5) is a chemical compound with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-(4-(ethoxycarbonyl)phenyl)thioureido)isophthalate, DIMETHYL 5-({[4-(ETHOXYCARBONYL)ANILINO]CARBOTHIOYL}AMINO)ISOPHTHALATE, dimethyl 5-({[4-(ethoxycarbonyl)phenyl]carbamothioyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate, ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate
| Molecular Formula | C20H20N2O6S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 3.2454 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.10422 |
| Heavy Atoms | 29 |
| Complexity | 892.8187 |
Chemical Identifiers
| CAS Number | 433314-29-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate (CAS 433314-29-5), with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol. IUPAC: dimethyl 5-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate
Property Insights of Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate
The XLogP value of 3.2454 indicates that Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate has 2 hydrogen bond donor(s) and 7 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-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate?
The CAS number of Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate is 433314-29-5.
What is the molecular formula of Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate?
The molecular formula of Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate is C20H20N2O6S.
What is the molecular weight of Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate?
The molecular weight of Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate is 416.10 g/mol.
Where can I buy Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate?
You can request a quote for Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)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-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[({[3,5-bis(methoxycarbonyl)phenyl]amino}thioxomethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.