![Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate structure](/static/products/6624/6624-07-3.webp)
Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate (CAS 6624-07-3) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate
Also Known As: ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate, ethyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate, Benzoic acid, 4-[[[(phenylacetyl)amino]thioxomethyl]amino]-, ethyl ester, ethyl 4-({[(phenylacetyl)amino]carbonothioyl}amino)benzoate, benzoic acid, 4-[[[(2-phenylacetyl)amino]thioxomethyl]amino]-, ethyl ester
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 2.919 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 714.8035 |
Chemical Identifiers
| CAS Number | 6624-07-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 |
Product Overview
Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate (CAS 6624-07-3), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: ethyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate
The XLogP value of 2.919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}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
Frequently Asked Questions
What is the CAS number of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate is 6624-07-3.
What is the molecular formula of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate is C18H18N2O3S.
What is the molecular weight of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate is 342.10 g/mol.
Where can I buy Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(phenylacetyl)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-{[(phenylacetyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.