![[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate structure](/static/products/854/854352-18-4.png)
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate
TL;DR: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate (CAS 854352-18-4) is a chemical compound with molecular formula C20H16ClFN2O3S and molecular weight 418.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate
Also Known As: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate|[2-[(4-methylphenyl)carbamoylmethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluoro-benzoate|{2-[2-(4-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl}methyl 2-chloro-6-fluorobenzoate|MLS002248712|SMR001316172
| Molecular Formula | C20H16ClFN2O3S |
|---|---|
| Molecular Weight | 418.06 g/mol |
| LogP | 4.78222 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.05542 |
| Heavy Atoms | 28 |
| Complexity | 984.6903 |
Chemical Identifiers
| CAS Number | 854352-18-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C=CC=C3Cl)F |
Product Overview
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate (CAS 854352-18-4), with molecular formula C20H16ClFN2O3S and molecular weight 418.06 g/mol. IUPAC: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate.
Chemical Property Profile of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate
Property Insights of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate
The XLogP value of 4.78222 indicates that [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate. Following Lipinski's Rule of Five, [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate has 1 hydrogen bond donor(s) and 5 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 [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
The CAS number of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate is 854352-18-4.
What is the molecular formula of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
The molecular formula of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate is C20H16ClFN2O3S.
What is the molecular weight of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
The molecular weight of [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate is 418.06 g/mol.
Where can I buy [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
You can request a quote for [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-chloro-6-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.