![ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate structure](/static/products/1008/1008931-50-7.webp)
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate
TL;DR: ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate (CAS 1008931-50-7) is a chemical compound with molecular formula C18H20ClFN2O4S and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
Also Known As: ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate, ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate, ethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}-4-(methylsulfanyl)butanoate, Methionine, N-[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-, ethyl ester, ethyl2-{[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}-4-(methylsulfanyl)butanoate
| Molecular Formula | C18H20ClFN2O4S |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 3.85712 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.08163 |
| Heavy Atoms | 27 |
| Complexity | 807.4381 |
Chemical Identifiers
| CAS Number | 1008931-50-7 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)NC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)C |
Product Overview
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate (CAS 1008931-50-7), with molecular formula C18H20ClFN2O4S and molecular weight 414.08 g/mol. IUPAC: ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylsulfanylbutanoate.
Chemical Property Profile of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate
Property Insights of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate
The XLogP value of 3.85712 indicates that ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate. Following Lipinski's Rule of Five, ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate has 1 hydrogen bond donor(s) and 6 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 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate?
The CAS number of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate is 1008931-50-7.
What is the molecular formula of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate?
The molecular formula of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate is C18H20ClFN2O4S.
What is the molecular weight of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate?
The molecular weight of ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate is 414.08 g/mol.
Where can I buy ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate?
You can request a quote for ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(methylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.