![9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione structure](/static/products/799/799787-36-3.png)
9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
TL;DR: 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione (CAS 799787-36-3) is a chemical compound with molecular formula C22H16FN5O2 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-6,11-dimethyl-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,8-tetraene-10,12-dione
Also Known As: 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
| Molecular Formula | C22H16FN5O2 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 2.82242 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.1288 |
| Heavy Atoms | 30 |
| Complexity | 1497.6866 |
Chemical Identifiers
| CAS Number | 799787-36-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C=C3C(=NC(=O)N(C3=O)C)N2C4=CC=C(C=C4)F)C5=CC=CC=C5 |
Product Overview
9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione (CAS 799787-36-3), with molecular formula C22H16FN5O2 and molecular weight 401.13 g/mol. IUPAC: 2-(4-fluorophenyl)-6,11-dimethyl-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,8-tetraene-10,12-dione.
Chemical Property Profile of 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Property Insights of 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
The XLogP value of 2.82242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione. Following Lipinski's Rule of Five, 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione has 0 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 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The CAS number of 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is 799787-36-3.
What is the molecular formula of 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The molecular formula of 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is C22H16FN5O2.
What is the molecular weight of 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The molecular weight of 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is 401.13 g/mol.
Where can I buy 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
You can request a quote for 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-fluorophenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.