Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate
TL;DR: Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate (CAS 339351-95-0) is a chemical compound with molecular formula C15H16F3N3O3S and molecular weight 375.09 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-(propanoylamino)propanoate
Also Known As: Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate, ethyl N-1,3-benzothiazol-2-yl-3,3,3-trifluoro-2-(propanoylamino)alaninate, ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(propanoylamino)propanoate, Ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(propionylamino)propanoate, Ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(propionylamino)propanoate #
| Molecular Formula | C15H16F3N3O3S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.08646 |
| Heavy Atoms | 25 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 339351-95-0 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC2=CC=CC=C2S1 |
| InChIKey | BPRYSYWTRQQETD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate (CAS 339351-95-0), with molecular formula C15H16F3N3O3S and molecular weight 375.09 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate
Property Insights of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate
The XLogP value of 4.4 indicates that Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate. Following Lipinski's Rule of Five, Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate has 2 hydrogen bond donor(s) and 9 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-propionamidopropionate?
The CAS number of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate is 339351-95-0.
What is the molecular formula of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate?
The molecular formula of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate is C15H16F3N3O3S.
What is the molecular weight of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate?
The molecular weight of Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate is 375.09 g/mol.
Where can I buy Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate?
You can request a quote for Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate 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-propionamidopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-benzothiazolylamino)-3,3,3-trifluoro-2-propionamidopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.