![3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one structure](/static/products/797/797797-82-1.png)
3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one
TL;DR: 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one (CAS 797797-82-1) is a chemical compound with molecular formula C27H21N5O2 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(3,5-dimethylphenyl)-17-(2-methoxyphenyl)-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-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one, 3-(3,5-dimethylphenyl)-11-(2-methoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-(3,5-dimethylphenyl)-11-(2-methoxyphenyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
| Molecular Formula | C27H21N5O2 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 4.89824 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.16953 |
| Heavy Atoms | 34 |
| Complexity | 1778.9478 |
Chemical Identifiers
| CAS Number | 797797-82-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC=CC=C6OC)C |
Product Overview
3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one (CAS 797797-82-1), with molecular formula C27H21N5O2 and molecular weight 447.17 g/mol. IUPAC: 13-(3,5-dimethylphenyl)-17-(2-methoxyphenyl)-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-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one
Property Insights of 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one
The XLogP value of 4.89824 indicates that 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one. Following Lipinski's Rule of Five, 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one has 0 hydrogen bond donor(s) and 5 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-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one?
The CAS number of 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one is 797797-82-1.
What is the molecular formula of 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one?
The molecular formula of 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one is C27H21N5O2.
What is the molecular weight of 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one?
The molecular weight of 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one is 447.17 g/mol.
Where can I buy 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one?
You can request a quote for 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-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-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dimethyl-phenyl)-11-(2-methoxy-phenyl)-3,11-dihydro-1,3,5,10,11-pentaaza-benzo[b]fluoren-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.