F2514-0380
TL;DR: F2514-0380 (CAS 894994-58-2) is a chemical compound with molecular formula C21H17F3N4O and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylphenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: F2514-0380, 1-(2,3-dimethylphenyl)-5-(3-(trifluoromethyl)benzyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 1-(2,3-dimethylphenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-one, 1-(2,3-dimethylphenyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 5-{[m-(trifluoromethyl)phenyl]methyl}-1-(2,3-xylyl)-1,2,5,7-tetraaza-1,5-dihydro-4H-inden-4-one
| Molecular Formula | C21H17F3N4O |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 4.26614 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.13544 |
| Heavy Atoms | 29 |
| Complexity | 1271.1382 |
Chemical Identifiers
| CAS Number | 894994-58-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC(=CC=C4)C(F)(F)F)C |
Product Overview
F2514-0380 (CAS 894994-58-2), with molecular formula C21H17F3N4O and molecular weight 398.14 g/mol. IUPAC: 1-(2,3-dimethylphenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of F2514-0380
Property Insights of F2514-0380
The XLogP value of 4.26614 indicates that F2514-0380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, F2514-0380 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F2514-0380 has 0 hydrogen bond donor(s) and 3 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 F2514-0380?
The CAS number of F2514-0380 is 894994-58-2.
What is the molecular formula of F2514-0380?
The molecular formula of F2514-0380 is C21H17F3N4O.
What is the molecular weight of F2514-0380?
The molecular weight of F2514-0380 is 398.14 g/mol.
Where can I buy F2514-0380?
You can request a quote for F2514-0380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2514-0380?
Yes, KEHONG BIO provides custom synthesis services for F2514-0380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.