A4096/0174681
TL;DR: A4096/0174681 (CAS 893769-28-3) is a chemical compound with molecular formula C18H12F2N4O and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,4-difluorophenyl)-9-methyl-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carbonitrile
Also Known As: A4096/0174681, 7-(2,4-difluorophenyl)-9-methyl-2-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[3,4-h]quinoline-3-carbonitrile, 1H-Pyrazolo[3,4-h]quinoline-3-carbonitrile, 7-(2,4-difluorophenyl)-2,5,6,7-tetrahydro-9-methyl-2-oxo-, 3-(2,4-difluorophenyl)-1-methyl-8-oxo-4,5,9-trihydropyrazolo[5,4-h]quinoline-7 -carbonitrile, 7-(2,4-difluorophenyl)-9-methyl-2-oxo-2,5,6,7-tetrahydro-1H-pyrazolo[3,4-h]quinolin-3-yl cyanide
| Molecular Formula | C18H12F2N4O |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 2.7845 |
| Topological Polar Surface Area | 74.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.09793 |
| Heavy Atoms | 25 |
| Complexity | 1121.3254 |
Chemical Identifiers
| CAS Number | 893769-28-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C3=C(CC2)C=C(C(=O)N3)C#N)C4=C(C=C(C=C4)F)F |
Product Overview
A4096/0174681 (CAS 893769-28-3), with molecular formula C18H12F2N4O and molecular weight 338.10 g/mol. IUPAC: 7-(2,4-difluorophenyl)-9-methyl-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carbonitrile.
Chemical Property Profile of A4096/0174681
Property Insights of A4096/0174681
The XLogP value of 2.7845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4096/0174681. The TPSA of 74.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A4096/0174681. Following Lipinski's Rule of Five, A4096/0174681 has 1 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 A4096/0174681?
The CAS number of A4096/0174681 is 893769-28-3.
What is the molecular formula of A4096/0174681?
The molecular formula of A4096/0174681 is C18H12F2N4O.
What is the molecular weight of A4096/0174681?
The molecular weight of A4096/0174681 is 338.10 g/mol.
Where can I buy A4096/0174681?
You can request a quote for A4096/0174681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4096/0174681?
Yes, KEHONG BIO provides custom synthesis services for A4096/0174681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.