![Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate structure](/static/products/889/889347-79-9.png)
Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate
TL;DR: Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate (CAS 889347-79-9) is a chemical compound with molecular formula C18H18F2N2O3S and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(difluoromethoxy)-4-methylphenyl]carbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(2-(difluoromethoxy)-4-methylphenyl)thioureido)benzoate, ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate, ethyl 4-[[2-(difluoromethoxy)-4-methylphenyl]carbamothioylamino]benzoate, ethyl 4-[({[2-(difluoromethoxy)-4-methylphenyl]amino}thioxomethyl)amino]benzoa te
| Molecular Formula | C18H18F2N2O3S |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 4.58202 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.10062 |
| Heavy Atoms | 26 |
| Complexity | 782.50574 |
Chemical Identifiers
| CAS Number | 889347-79-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)C)OC(F)F |
Product Overview
Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate (CAS 889347-79-9), with molecular formula C18H18F2N2O3S and molecular weight 380.10 g/mol. IUPAC: ethyl 4-[[2-(difluoromethoxy)-4-methylphenyl]carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate
Property Insights of Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate
The XLogP value of 4.58202 indicates that Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]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-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate is 889347-79-9.
What is the molecular formula of Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate is C18H18F2N2O3S.
What is the molecular weight of Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate is 380.10 g/mol.
Where can I buy Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]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-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[2-(difluoromethoxy)-4-methylphenyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.