Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate
TL;DR: Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate (CAS 256325-80-1) is a chemical compound with molecular formula C18H15F3N4O3S and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate
Also Known As: Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate, ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate, ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-[(3-pyridylcarbonyl)amino]propanoate, ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-N-(pyridin-3-ylcarbonyl)alaninate, ethyl 2-(benzo[d]thiazol-2-ylamino)-3,3,3-trifluoro-2-(nicotinamido)propanoate
| Molecular Formula | C18H15F3N4O3S |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.0817 |
| Heavy Atoms | 29 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 256325-80-1 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)C3=CN=CC=C3 |
| InChIKey | WDFLPZGRUIEFJD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate (CAS 256325-80-1), with molecular formula C18H15F3N4O3S and molecular weight 424.08 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate.
Chemical Property Profile of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate
Property Insights of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate
The XLogP value of 4.5 indicates that Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate. Following Lipinski's Rule of Five, Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate has 2 hydrogen bond donor(s) and 10 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-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate?
The CAS number of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate is 256325-80-1.
What is the molecular formula of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate?
The molecular formula of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate is C18H15F3N4O3S.
What is the molecular weight of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate?
The molecular weight of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate is 424.08 g/mol.
Where can I buy Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate?
You can request a quote for Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-nicotinamidopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.