F0626-0039
TL;DR: F0626-0039 (CAS 477181-58-1) is a chemical compound with molecular formula C17H17F3N2O4 and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carbonyl]amino]benzoate
Also Known As: F0626-0039, (E)-methyl 4-(1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamido)benzoate, methyl 4-[[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carbonyl]amino]benzoate, methyl 4-{1-[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]pyrrolidine-2-amido}benzoate, methyl p-{1-[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]-2-pyrrolidinylcarbonylamino}benzoate
| Molecular Formula | C17H17F3N2O4 |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 2.5212 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.11404 |
| Heavy Atoms | 26 |
| Complexity | 713.7133 |
Chemical Identifiers
| CAS Number | 477181-58-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2/C=C/C(=O)C(F)(F)F |
Product Overview
F0626-0039 (CAS 477181-58-1), with molecular formula C17H17F3N2O4 and molecular weight 370.11 g/mol. IUPAC: methyl 4-[[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carbonyl]amino]benzoate.
Chemical Property Profile of F0626-0039
Property Insights of F0626-0039
The XLogP value of 2.5212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0626-0039. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for F0626-0039. Following Lipinski's Rule of Five, F0626-0039 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 F0626-0039?
The CAS number of F0626-0039 is 477181-58-1.
What is the molecular formula of F0626-0039?
The molecular formula of F0626-0039 is C17H17F3N2O4.
What is the molecular weight of F0626-0039?
The molecular weight of F0626-0039 is 370.11 g/mol.
Where can I buy F0626-0039?
You can request a quote for F0626-0039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0626-0039?
Yes, KEHONG BIO provides custom synthesis services for F0626-0039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.