Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate
TL;DR: Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate (CAS 1429-24-9) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoate
Also Known As: Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate, Benzoic acid,4,4'-(carbonothioyldiimino)bis-, diethyl ester (9CI), Diethyl 4,4'-[carbonothioylbis(azanediyl)]dibenzoate, ethyl 4-[(4-ethoxycarbonylphenyl)carbamothioylamino]benzoate, ethyl 4-({[4-(ethoxycarbonyl)phenyl]carbamothioyl}amino)benzoate
Technical Specifications
| Molecular Formula | C19H20N2O4S |
| Molecular Weight | 372.11438 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.11438 Da |
| Heavy Atoms | 26 |
| Complexity | 442.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC |
| InChIKey | UNDXGNBJIAXWEM-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate
Property Insights of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate
The XLogP value of 3.5 indicates that Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate. Following Lipinski's Rule of Five, Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate 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
What is the CAS number of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate?
The CAS number of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate is 1429-24-9.
What is the molecular formula of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate?
The molecular formula of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate is C19H20N2O4S.
What is the molecular weight of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate?
The molecular weight of Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate is 372.11438 g/mol.
Where can I buy Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate?
You can request a quote for Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate?
Yes, CoreyChem provides custom synthesis services for Diethyl 4,4'-(thiocarbonylbis(azanediyl))dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.