![Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate structure](/static/products/4894/489433-25-2.webp)
Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
TL;DR: Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate (CAS 489433-25-2) is a chemical compound with molecular formula C17H19F4N3O3S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
Also Known As: Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate, 3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-pentanoylamino-propionic acid ethyl ester, (S)-ethyl 3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate, ethyl 3,3,3-trifluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(pentanoylamino)alaninate, Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate #
| Molecular Formula | C17H19F4N3O3S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.10834 |
| Heavy Atoms | 28 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 489433-25-2 |
|---|---|
| SMILES | CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)F |
| InChIKey | LXCHKJVKUPIUAL-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate (CAS 489433-25-2), with molecular formula C17H19F4N3O3S and molecular weight 421.11 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
Property Insights of Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
The XLogP value of 5.4 indicates that Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate 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 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate has 2 hydrogen bond donor(s) and 10 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-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
The CAS number of Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate is 489433-25-2.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate is C17H19F4N3O3S.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate is 421.11 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)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-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.