![methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate structure](/static/products/489/489403-75-0.png)
methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate
TL;DR: methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate (CAS 489403-75-0) is a chemical compound with molecular formula C14H14F3N3O5S2 and molecular weight 425.03 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-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate
Also Known As: methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate, 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester, (S)-methyl 2-acetamido-3,3,3-trifluoro-2-((6-(methylsulfonyl)benzo[d]thiazol-2-yl)amino)propanoate, methyl 2-(acetylamino)-3,3,3-trifluoro-2-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}propanoate, methyl 2-(acetylamino)-3,3,3-trifluoro-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]alaninate
| Molecular Formula | C14H14F3N3O5S2 |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.03268 |
| Heavy Atoms | 27 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 489403-75-0 |
|---|---|
| SMILES | CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C |
| InChIKey | HWCLMJPDYGVVLV-UHFFFAOYSA-N |
Product Overview
methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate (CAS 489403-75-0), with molecular formula C14H14F3N3O5S2 and molecular weight 425.03 g/mol. IUPAC: methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate.
Chemical Property Profile of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate
Property Insights of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate. The TPSA of 151.0 Ų indicates high polarity, suggesting methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate?
The CAS number of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate is 489403-75-0.
What is the molecular formula of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate?
The molecular formula of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate is C14H14F3N3O5S2.
What is the molecular weight of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate?
The molecular weight of methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate is 425.03 g/mol.
Where can I buy methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate?
You can request a quote for methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-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 methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.