![3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one structure](/static/products/836/836645-89-7.png)
3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
TL;DR: 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 836645-89-7) is a chemical compound with molecular formula C27H21N5O and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(2-methylphenyl)-13-[(4-methylphenyl)methyl]-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-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-(4-methylbenzyl)-11-(o-tolyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C27H21N5O |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 4.94874 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.17462 |
| Heavy Atoms | 33 |
| Complexity | 1728.2881 |
Chemical Identifiers
| CAS Number | 836645-89-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC=CC=C6C |
Product Overview
3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 836645-89-7), with molecular formula C27H21N5O and molecular weight 431.17 g/mol. IUPAC: 17-(2-methylphenyl)-13-[(4-methylphenyl)methyl]-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-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Property Insights of 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
The XLogP value of 4.94874 indicates that 3-(4-methylbenzyl)-11-(2-methylphenyl)-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-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one. Following Lipinski's Rule of Five, 3-(4-methylbenzyl)-11-(2-methylphenyl)-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-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The CAS number of 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 836645-89-7.
What is the molecular formula of 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular formula of 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is C27H21N5O.
What is the molecular weight of 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
The molecular weight of 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is 431.17 g/mol.
Where can I buy 3-(4-methylbenzyl)-11-(2-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one?
You can request a quote for 3-(4-methylbenzyl)-11-(2-methylphenyl)-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-(4-methylbenzyl)-11-(2-methylphenyl)-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-(4-methylbenzyl)-11-(2-methylphenyl)-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.