![methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate structure](/static/products/4881/488120-33-8.webp)
methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate
TL;DR: methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate (CAS 488120-33-8) is a chemical compound with molecular formula C15H16F3N3O3S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate, 3,3,3-Trifluoro-2-(6-methyl-benzothiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester, methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propionylamino)propanoate, methyl 3,3,3-trifluoro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(propanoylamino)alaninate, (S)-methyl 3,3,3-trifluoro-2-((6-methylbenzo[d]thiazol-2-yl)amino)-2-propionamidopropanoate
| Molecular Formula | C15H16F3N3O3S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 2.97442 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.08646 |
| Heavy Atoms | 25 |
| Complexity | 806.1509 |
Chemical Identifiers
| CAS Number | 488120-33-8 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)C |
Product Overview
methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate (CAS 488120-33-8), with molecular formula C15H16F3N3O3S and molecular weight 375.09 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate
Property Insights of methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate
The XLogP value of 2.97442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)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 methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate is 488120-33-8.
What is the molecular formula of methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate is C15H16F3N3O3S.
What is the molecular weight of methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate is 375.09 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(propanoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.