![methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate structure](/static/products/121/1210908-67-0.webp)
methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate
TL;DR: methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate (CAS 1210908-67-0) is a chemical compound with molecular formula C13H11ClF3NO3 and molecular weight 321.03796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate
Also Known As: methyl 5-chloro-2-{[(2E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino}benzoate, 8P-031, methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate, methyl 5-chloro-2-{[(E)-4,4,4-trifluoro-1-methyl-3-oxo-1-butenyl]amino}benzenecarboxylate, Methyl 5-chloro-2-[(5,5,5-trifluoro-4-oxo-pent-2-en-2-yl)amino]benzoate
Technical Specifications
| Molecular Formula | C13H11ClF3NO3 |
| Molecular Weight | 321.03796 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.03796 Da |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
| SMILES | C/C(=C\C(=O)C(F)(F)F)/NC1=C(C=C(C=C1)Cl)C(=O)OC |
| InChIKey | LSNJOAFBTFZCDA-FNORWQNLSA-N |
Chemical Property Profile of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate
Property Insights of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate
The XLogP value of 4.3 indicates that methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate?
The CAS number of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate is 1210908-67-0.
What is the molecular formula of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate?
The molecular formula of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate is C13H11ClF3NO3.
What is the molecular weight of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate?
The molecular weight of methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate is 321.03796 g/mol.
Where can I buy methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate?
You can request a quote for methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 5-chloro-2-[[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.