![6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione structure](/static/products/840/840463-86-7.png)
6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
TL;DR: 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione (CAS 840463-86-7) is a chemical compound with molecular formula C26H22F3N5O2 and molecular weight 493.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-butyl-6-methyl-4-phenyl-2-[3-(trifluoromethyl)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: 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione, 6-butyl-3-methyl-1-phenyl-9-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
| Molecular Formula | C26H22F3N5O2 |
|---|---|
| Molecular Weight | 493.17 g/mol |
| LogP | 4.96522 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.17255 |
| Heavy Atoms | 36 |
| Complexity | 1665.873 |
Chemical Identifiers
| CAS Number | 840463-86-7 |
|---|---|
| SMILES | CCCCN1C(=O)C2=CC3=C(N(N=C3C)C4=CC=CC=C4)N(C2=NC1=O)C5=CC=CC(=C5)C(F)(F)F |
Product Overview
6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione (CAS 840463-86-7), with molecular formula C26H22F3N5O2 and molecular weight 493.17 g/mol. IUPAC: 11-butyl-6-methyl-4-phenyl-2-[3-(trifluoromethyl)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 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Property Insights of 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
The XLogP value of 4.96522 indicates that 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione. Following Lipinski's Rule of Five, 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)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 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The CAS number of 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is 840463-86-7.
What is the molecular formula of 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The molecular formula of 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is C26H22F3N5O2.
What is the molecular weight of 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The molecular weight of 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is 493.17 g/mol.
Where can I buy 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
You can request a quote for 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)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 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)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 6-butyl-3-methyl-1-phenyl-9-(3-(trifluoromethyl)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.