![methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate structure](/static/products/6729/672949-73-4.webp)
methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate
TL;DR: methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate (CAS 672949-73-4) is a chemical compound with molecular formula C10H8F3NO3S and molecular weight 279.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]thiophene-2-carboxylate
Also Known As: methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate, methyl 3-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]thiophene-2-carboxylate, Methyl 3-[(4,4,4-trifluoro-3-oxo-but-1-enyl)amino]thiophene-2-carboxylate
| Molecular Formula | C10H8F3NO3S |
|---|---|
| Molecular Weight | 279.02 g/mol |
| LogP | 2.5917 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.0177 |
| Heavy Atoms | 18 |
| Complexity | 478.9576 |
Chemical Identifiers
| CAS Number | 672949-73-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC=CC(=O)C(F)(F)F |
Product Overview
methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate (CAS 672949-73-4), with molecular formula C10H8F3NO3S and molecular weight 279.02 g/mol. IUPAC: methyl 3-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate
Property Insights of methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate
The XLogP value of 2.5917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate has 1 hydrogen bond donor(s) and 5 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-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate?
The CAS number of methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate is 672949-73-4.
What is the molecular formula of methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate?
The molecular formula of methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate is C10H8F3NO3S.
What is the molecular weight of methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate?
The molecular weight of methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate is 279.02 g/mol.
Where can I buy methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate?
You can request a quote for methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]amino}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.