![Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate structure](/static/products/5164/516458-66-5.webp)
Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate
TL;DR: Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 516458-66-5) is a chemical compound with molecular formula C18H19FN2O2S and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[2-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]acetate
Also Known As: methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate, methyl 2-(4-(3-(4-fluorophenethyl)thioureido)phenyl)acetate, methyl 2-[4-[2-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]acetate, METHYL 2-[4-({[(4-FLUOROPHENETHYL)AMINO]CARBOTHIOYL}AMINO)PHENYL]ACETATE, methyl 2-{4-[({[2-(4-fluorophenyl)ethyl]amino}thioxomethyl)amino]phenyl}acetat e
| Molecular Formula | C18H19FN2O2S |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 3.0703 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1151 |
| Heavy Atoms | 24 |
| Complexity | 687.16986 |
Chemical Identifiers
| CAS Number | 516458-66-5 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F |
Product Overview
Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate (CAS 516458-66-5), with molecular formula C18H19FN2O2S and molecular weight 346.12 g/mol. IUPAC: methyl 2-[4-[2-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]acetate.
Chemical Property Profile of Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate
Property Insights of Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate
The XLogP value of 3.0703 indicates that Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate has 2 hydrogen bond donor(s) and 3 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 Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
The CAS number of Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate is 516458-66-5.
What is the molecular formula of Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular formula of Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate is C18H19FN2O2S.
What is the molecular weight of Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
The molecular weight of Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate is 346.12 g/mol.
Where can I buy Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
You can request a quote for Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.