![(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate structure](/static/products/500/500272-92-4.png)
(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate
TL;DR: (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate (CAS 500272-92-4) is a chemical compound with molecular formula C13H11F4N3O3S and molecular weight 365.05 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-fluoro-1,3-benzothiazol-2-yl)amino]propanoate
Also Known As: (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate, methyl 2-(acetylamino)-3,3,3-trifluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)alaninate, methyl 2-acetamido-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoate, 2-Acetylamino-3,3,3-trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-propionic acid methyl ester, Methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoate
| Molecular Formula | C13H11F4N3O3S |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.04572 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 500272-92-4 |
|---|---|
| SMILES | CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)F |
| InChIKey | NWAFINYAYXIPQO-UHFFFAOYSA-N |
Product Overview
(S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate (CAS 500272-92-4), with molecular formula C13H11F4N3O3S and molecular weight 365.05 g/mol. IUPAC: methyl 2-acetamido-3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]propanoate.
Chemical Property Profile of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate
Property Insights of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate
The XLogP value of 3.7 indicates that (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)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 (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate has 2 hydrogen bond donor(s) and 10 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)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate?
The CAS number of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate is 500272-92-4.
What is the molecular formula of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate?
The molecular formula of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate is C13H11F4N3O3S.
What is the molecular weight of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate?
The molecular weight of (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate is 365.05 g/mol.
Where can I buy (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate?
You can request a quote for (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[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-fluorobenzo[d]thiazol-2-yl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-fluorobenzo[d]thiazol-2-yl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.