F0626-0112
TL;DR: F0626-0112 (CAS 1037673-29-2) is a chemical compound with molecular formula C20H21F3N4O3 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
Also Known As: F0626-0112, (E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)pyrrolidine-2-carboxamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[(1E)-4,4,4-trifluoro-3-oxobut-1-en-1-yl]pyrrolidine-2-carboxamide, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide, N-(1-methyl-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-[(E)-4,4,4-trifluoro-3-oxo-1-butenyl]-2-pyrrolidinecarboxamide
| Molecular Formula | C20H21F3N4O3 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 2.53242 |
| Topological Polar Surface Area | 76.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1566 |
| Heavy Atoms | 30 |
| Complexity | 1038.0466 |
Chemical Identifiers
| CAS Number | 1037673-29-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCCN3/C=C/C(=O)C(F)(F)F |
Product Overview
F0626-0112 (CAS 1037673-29-2), with molecular formula C20H21F3N4O3 and molecular weight 422.16 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of F0626-0112
Property Insights of F0626-0112
The XLogP value of 2.53242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0626-0112. The TPSA of 76.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F0626-0112. Following Lipinski's Rule of Five, F0626-0112 has 1 hydrogen bond donor(s) and 4 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 F0626-0112?
The CAS number of F0626-0112 is 1037673-29-2.
What is the molecular formula of F0626-0112?
The molecular formula of F0626-0112 is C20H21F3N4O3.
What is the molecular weight of F0626-0112?
The molecular weight of F0626-0112 is 422.16 g/mol.
Where can I buy F0626-0112?
You can request a quote for F0626-0112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0626-0112?
Yes, KEHONG BIO provides custom synthesis services for F0626-0112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.