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Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 428852-97-5) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(naphthalene-1-carbonylcarbamothioylamino)benzoate
Also Known As: ethyl 4-(3-(1-naphthoyl)thioureido)benzoate, ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate, ethyl 4-(naphthalene-1-carbonylcarbamothioylamino)benzoate, ETHYL 4-{[(NAPHTHALEN-1-YLFORMAMIDO)METHANETHIOYL]AMINO}BENZOATE
| Molecular Formula | C21H18N2O3S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 4.1433 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.10382 |
| Heavy Atoms | 27 |
| Complexity | 994.4892 |
Chemical Identifiers
| CAS Number | 428852-97-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32 |
Product Overview
Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate (CAS 428852-97-5), with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol. IUPAC: ethyl 4-(naphthalene-1-carbonylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate
The XLogP value of 4.1433 indicates that Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(naphthalen-1-ylcarbonyl)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-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate is 428852-97-5.
What is the molecular formula of Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate is C21H18N2O3S.
What is the molecular weight of Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate is 378.10 g/mol.
Where can I buy Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(naphthalen-1-ylcarbonyl)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-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.