ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate
TL;DR: ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate (CAS 361368-08-3) is a chemical compound with molecular formula C18H20F6N4O4S and molecular weight 502.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(6-methyl-2-pyridinyl)carbamoyl]amino]-2-(2,2,2-trifluoroethoxy)propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate, ethyl 3,3,3-trifluoro-2-[[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(6-methylpyridin-2-yl)carbamoyl]amino]-2-(2,2,2-trifluoroethoxy)propanoate, ethyl 3,3,3-trifluoro-N-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(6-methylpyridin-2-yl)carbamoyl]-2-(2,2,2-trifluoroethoxy)alaninate
| Molecular Formula | C18H20F6N4O4S |
|---|---|
| Molecular Weight | 502.11 g/mol |
| LogP | 3.79792 |
| Topological Polar Surface Area | 93.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.11093 |
| Heavy Atoms | 33 |
| Complexity | 910.6565 |
Chemical Identifiers
| CAS Number | 361368-08-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)N(C1=CC=CC(=N1)C)C2=NCC(S2)C)OCC(F)(F)F |
Product Overview
ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate (CAS 361368-08-3), with molecular formula C18H20F6N4O4S and molecular weight 502.11 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(6-methyl-2-pyridinyl)carbamoyl]amino]-2-(2,2,2-trifluoroethoxy)propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate
Property Insights of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate
The XLogP value of 3.79792 indicates that ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate?
The CAS number of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate is 361368-08-3.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate?
The molecular formula of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate is C18H20F6N4O4S.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate?
The molecular weight of ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate is 502.11 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate?
You can request a quote for ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-(3-(5-methyl-4,5-dihydrothiazol-2-yl)-3-(6-methylpyridin-2-yl)ureido)-2-(2,2,2-trifluoroethoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.