![(S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate structure](/static/products/488/488705-96-0.png)
(S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate
TL;DR: (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate (CAS 488705-96-0) is a chemical compound with molecular formula C20H26F3N3O3S and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(pentanoylamino)-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate
Also Known As: (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate, ethyl 3,3,3-trifluoro-2-(pentanoylamino)-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate, ethyl 3,3,3-trifluoro-2-(pentanoylamino)-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]alaninate, ethyl 3,3,3-trifluoro-2-[(6-isopropyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
| Molecular Formula | C20H26F3N3O3S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 4.9597 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.1647 |
| Heavy Atoms | 30 |
| Complexity | 898.2844 |
Chemical Identifiers
| CAS Number | 488705-96-0 |
|---|---|
| SMILES | CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)C(C)C |
Product Overview
(S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate (CAS 488705-96-0), with molecular formula C20H26F3N3O3S and molecular weight 445.16 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(pentanoylamino)-2-[(6-propan-2-yl-1,3-benzothiazol-2-yl)amino]propanoate.
Chemical Property Profile of (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate
Property Insights of (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate
The XLogP value of 4.9597 indicates that (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate 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 (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate. Following Lipinski's Rule of Five, (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate 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 (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate?
The CAS number of (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate is 488705-96-0.
What is the molecular formula of (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate?
The molecular formula of (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate is C20H26F3N3O3S.
What is the molecular weight of (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate?
The molecular weight of (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate is 445.16 g/mol.
Where can I buy (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate?
You can request a quote for (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 3,3,3-trifluoro-2-((6-isopropylbenzo[d]thiazol-2-yl)amino)-2-pentanamidopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.