![ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate structure](/static/products/488/488135-88-2.png)
ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
TL;DR: ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate (CAS 488135-88-2) is a chemical compound with molecular formula C18H22F3N3O3S and molecular weight 417.13 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-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate, (S)-ethyl 3,3,3-trifluoro-2-((6-methylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate, ethyl 3,3,3-trifluoro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(pentanoylamino)alaninate
| Molecular Formula | C18H22F3N3O3S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.14472 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.1334 |
| Heavy Atoms | 28 |
| Complexity | 853.4488 |
Chemical Identifiers
| CAS Number | 488135-88-2 |
|---|---|
| SMILES | CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)C |
Product Overview
ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate (CAS 488135-88-2), with molecular formula C18H22F3N3O3S and molecular weight 417.13 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
Property Insights of ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
The XLogP value of 4.14472 indicates that ethyl 3,3,3-trifluoro-2-[(6-methyl-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 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate has 2 hydrogen bond donor(s) and 6 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 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
The CAS number of ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate is 488135-88-2.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
The molecular formula of ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate is C18H22F3N3O3S.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
The molecular weight of ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate is 417.13 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
You can request a quote for ethyl 3,3,3-trifluoro-2-[(6-methyl-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-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.