![Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate structure](/static/products/1642/164297-00-1.webp)
Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate
TL;DR: Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate (CAS 164297-00-1) is a chemical compound with molecular formula C17H15ClN2O3S and molecular weight 362.0492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate
Also Known As: BIM-0046981.P001, AB00102953-01, ethyl 4-(3-(4-chlorobenzoyl)thioureido)benzoate, ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate, AN-329/40474867
Technical Specifications
| Molecular Formula | C17H15ClN2O3S |
| Molecular Weight | 362.0492 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.0492 Da |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | UZKWTCBVCPNXBB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate
Property Insights of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate
The XLogP value of 4.4 indicates that Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate 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
What is the CAS number of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate?
The CAS number of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate is 164297-00-1.
What is the molecular formula of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate?
The molecular formula of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate is C17H15ClN2O3S.
What is the molecular weight of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate?
The molecular weight of Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate is 362.0492 g/mol.
Where can I buy Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate?
You can request a quote for Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-[(4-chlorobenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.