![ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate structure](/static/products/352/352316-68-8.png)
ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate
TL;DR: ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate (CAS 352316-68-8) is a chemical compound with molecular formula C20H19F3N4O4S and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate
Also Known As: ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate, ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate, ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate, ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-N-(pyridin-3-ylcarbonyl)alaninate, Ethyl 2-[(6-ethoxybenzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate
| Molecular Formula | C20H19F3N4O4S |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 3.7536 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1079 |
| Heavy Atoms | 32 |
| Complexity | 1107.168 |
Chemical Identifiers
| CAS Number | 352316-68-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C3=CN=CC=C3 |
Product Overview
ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate (CAS 352316-68-8), with molecular formula C20H19F3N4O4S and molecular weight 468.11 g/mol. IUPAC: ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate.
Chemical Property Profile of ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate
Property Insights of ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate
The XLogP value of 3.7536 indicates that ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate. Following Lipinski's Rule of Five, ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate has 2 hydrogen bond donor(s) and 8 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-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate?
The CAS number of ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate is 352316-68-8.
What is the molecular formula of ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate?
The molecular formula of ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate is C20H19F3N4O4S.
What is the molecular weight of ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate?
The molecular weight of ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate is 468.11 g/mol.
Where can I buy ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate?
You can request a quote for ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((6-ethoxybenzo[d]thiazol-2-yl)amino)-3,3,3-trifluoro-2-(nicotinamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.