![(S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate structure](/static/products/489/489433-26-3.png)
(S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate
TL;DR: (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate (CAS 489433-26-3) is a chemical compound with molecular formula C20H24F3N3O5S and molecular weight 475.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
Also Known As: (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate, 2-(1-Ethoxycarbonyl-2,2,2-trifluoro-1-pentanoylamino-ethylamino)-benzothiazole-6-carboxylic acid ethyl ester, Ethyl 2-([1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(pentanoylamino)ethyl]amino)-1,3-benzothiazole-6-carboxylate #, ethyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate, ethyl 2-{[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(pentanoylamino)ethyl]amino}-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C20H24F3N3O5S |
|---|---|
| Molecular Weight | 475.14 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 475.1389 |
| Heavy Atoms | 32 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 489433-26-3 |
|---|---|
| SMILES | CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC |
| InChIKey | JMKHHZILIIVGHO-UHFFFAOYSA-N |
Product Overview
(S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate (CAS 489433-26-3), with molecular formula C20H24F3N3O5S and molecular weight 475.14 g/mol. IUPAC: ethyl 2-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate
Property Insights of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate
The XLogP value of 5.5 indicates that (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate. Following Lipinski's Rule of Five, (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate?
The CAS number of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate is 489433-26-3.
What is the molecular formula of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate?
The molecular formula of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate is C20H24F3N3O5S.
What is the molecular weight of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate?
The molecular weight of (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate is 475.14 g/mol.
Where can I buy (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate?
You can request a quote for (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-((3-ethoxy-1,1,1-trifluoro-3-oxo-2-pentanamidopropan-2-yl)amino)benzo[d]thiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.