![(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate structure](/static/products/497/497078-89-4.png)
(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate
TL;DR: (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate (CAS 497078-89-4) is a chemical compound with molecular formula C16H12F9N3O4S and molecular weight 513.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3,3,3-trifluoro-2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino]propanoate
Also Known As: (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate, METHYL 2-(ACETYLAMINO)-3,3,3-TRIFLUORO-2-({6-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]-1,3-BENZOTHIAZOL-2-YL}AMINO)PROPANOATE, methyl 2-(acetylamino)-3,3,3-trifluoro-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]alaninate, methyl 2-acetamido-3,3,3-trifluoro-2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino]propanoate
| Molecular Formula | C16H12F9N3O4S |
|---|---|
| Molecular Weight | 513.04 g/mol |
| LogP | 3.5881 |
| Topological Polar Surface Area | 100.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.04047 |
| Heavy Atoms | 33 |
| Complexity | 1050.1371 |
Chemical Identifiers
| CAS Number | 497078-89-4 |
|---|---|
| SMILES | CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O |
Product Overview
(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate (CAS 497078-89-4), with molecular formula C16H12F9N3O4S and molecular weight 513.04 g/mol. IUPAC: methyl 2-acetamido-3,3,3-trifluoro-2-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino]propanoate.
Chemical Property Profile of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate
Property Insights of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate
The XLogP value of 3.5881 indicates that (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate?
The CAS number of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate is 497078-89-4.
What is the molecular formula of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate?
The molecular formula of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate is C16H12F9N3O4S.
What is the molecular weight of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate?
The molecular weight of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate is 513.04 g/mol.
Where can I buy (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate?
You can request a quote for (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzo[d]thiazol-2-yl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.