![3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one structure](/static/products/844/844461-56-9.png)
3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
TL;DR: 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 844461-56-9) is a chemical compound with molecular formula C25H25N5O and molecular weight 411.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-butan-2-yl-14-methyl-17-(2-phenylethyl)-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: 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-(sec-butyl)-2-methyl-11-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C25H25N5O |
|---|---|
| Molecular Weight | 411.21 g/mol |
| LogP | 4.81652 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.2059 |
| Heavy Atoms | 31 |
| Complexity | 1466.3862 |
Chemical Identifiers
| CAS Number | 844461-56-9 |
|---|---|
| SMILES | CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CCC5=CC=CC=C5)C |
Product Overview
3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 844461-56-9), with molecular formula C25H25N5O and molecular weight 411.21 g/mol. IUPAC: 13-butan-2-yl-14-methyl-17-(2-phenylethyl)-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 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Property Insights of 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
The XLogP value of 4.81652 indicates that 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-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 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one. Following Lipinski's Rule of Five, 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The CAS number of 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 844461-56-9.
What is the molecular formula of 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular formula of 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is C25H25N5O.
What is the molecular weight of 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular weight of 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 411.21 g/mol.
Where can I buy 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
You can request a quote for 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-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 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(butan-2-yl)-2-methyl-11-(2-phenylethyl)-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.