![2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one structure](/static/products/848/848871-32-9.png)
2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
TL;DR: 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 848871-32-9) is a chemical compound with molecular formula C25H22F3N5O and molecular weight 465.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-13-(3-methylbutyl)-17-[3-(trifluoromethyl)phenyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-isopentyl-2-methyl-11-(3-(trifluoromethyl)phenyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C25H22F3N5O |
|---|---|
| Molecular Weight | 465.18 g/mol |
| LogP | 5.65692 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.17764 |
| Heavy Atoms | 34 |
| Complexity | 1615.1133 |
Chemical Identifiers
| CAS Number | 848871-32-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=CC(=C5)C(F)(F)F)C(=O)N1CCC(C)C |
Product Overview
2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 848871-32-9), with molecular formula C25H22F3N5O and molecular weight 465.18 g/mol. IUPAC: 14-methyl-13-(3-methylbutyl)-17-[3-(trifluoromethyl)phenyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Property Insights of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
The XLogP value of 5.65692 indicates that 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one. Following Lipinski's Rule of Five, 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The CAS number of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 848871-32-9.
What is the molecular formula of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular formula of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is C25H22F3N5O.
What is the molecular weight of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular weight of 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 465.18 g/mol.
Where can I buy 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
You can request a quote for 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-(3-methylbutyl)-11-[3-(trifluoromethyl)phenyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.