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Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate
TL;DR: Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate (CAS 695205-16-4) is a chemical compound with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-acetamidoethylcarbamothioylamino)benzoate
Also Known As: AB01330767-02, ethyl 4-(3-(2-acetamidoethyl)thioureido)benzoate, ethyl 4-(2-acetamidoethylcarbamothioylamino)benzoate, ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate, A3529/0149464
| Molecular Formula | C14H19N3O3S |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 1.2858 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.11472 |
| Heavy Atoms | 21 |
| Complexity | 502.6906 |
Chemical Identifiers
| CAS Number | 695205-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCNC(=O)C |
Product Overview
Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate (CAS 695205-16-4), with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol. IUPAC: ethyl 4-(2-acetamidoethylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate
Property Insights of Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate
The XLogP value of 1.2858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate has 3 hydrogen bond donor(s) and 4 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-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate is 695205-16-4.
What is the molecular formula of Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate is C14H19N3O3S.
What is the molecular weight of Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate is 309.11 g/mol.
Where can I buy Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[2-(acetylamino)ethyl]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-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[2-(acetylamino)ethyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.