BIM-0016414.P001
TL;DR: BIM-0016414.P001 (CAS 5282-73-5) is a chemical compound with molecular formula C14H11FN4O and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
Also Known As: BIM-0016414.P001, [(2-fluorophenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]malononitrile, [(2-fluorophenyl)(3-hydroxy-5-methylpyrazol-4-yl)methyl]methane-1,1-dicarbonit rile, 2-[(2-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
| Molecular Formula | C14H11FN4O |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 1.94578 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.09167 |
| Heavy Atoms | 20 |
| Complexity | 748.4567 |
Chemical Identifiers
| CAS Number | 5282-73-5 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC=CC=C2F)C(C#N)C#N |
Product Overview
BIM-0016414.P001 (CAS 5282-73-5), with molecular formula C14H11FN4O and molecular weight 270.09 g/mol. IUPAC: 2-[(2-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile.
Chemical Property Profile of BIM-0016414.P001
Property Insights of BIM-0016414.P001
The XLogP value of 1.94578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0016414.P001. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0016414.P001. Following Lipinski's Rule of Five, BIM-0016414.P001 has 2 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 BIM-0016414.P001?
The CAS number of BIM-0016414.P001 is 5282-73-5.
What is the molecular formula of BIM-0016414.P001?
The molecular formula of BIM-0016414.P001 is C14H11FN4O.
What is the molecular weight of BIM-0016414.P001?
The molecular weight of BIM-0016414.P001 is 270.09 g/mol.
Where can I buy BIM-0016414.P001?
You can request a quote for BIM-0016414.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0016414.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0016414.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.