![methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate structure](/static/products/4894/489419-48-9.webp)
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate
TL;DR: methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate (CAS 489419-48-9) is a chemical compound with molecular formula C17H14F3N3O4S and molecular weight 413.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate
Also Known As: methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate, methyl 3,3,3-trifluoro-2-(2-furoylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate, (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((4-methylbenzo[d]thiazol-2-yl)amino)propanoate, methyl 3,3,3-trifluoro-N-(furan-2-ylcarbonyl)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]alaninate
| Molecular Formula | C17H14F3N3O4S |
|---|---|
| Molecular Weight | 413.07 g/mol |
| LogP | 3.47122 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0657 |
| Heavy Atoms | 28 |
| Complexity | 1016.50134 |
Chemical Identifiers
| CAS Number | 489419-48-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=N2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CO3 |
Product Overview
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate (CAS 489419-48-9), with molecular formula C17H14F3N3O4S and molecular weight 413.07 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate
Property Insights of methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate
The XLogP value of 3.47122 indicates that methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate has 2 hydrogen bond donor(s) and 7 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-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate is 489419-48-9.
What is the molecular formula of methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate is C17H14F3N3O4S.
What is the molecular weight of methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate is 413.07 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-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 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.