![3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione structure](/static/products/8139/81-39-0.webp)
3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
TL;DR: 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione (CAS 81-39-0) is a chemical compound with molecular formula C24H18N2O2 and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Also Known As: Solvent Red 52, Solven Red 52, KP Plast Red 58, Fluorescent Red H5B, C.I.Solvent Red 52
| Molecular Formula | C24H18N2O2 |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.13684 |
| Heavy Atoms | 28 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 81-39-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C3C4=C(C=C2)N(C(=O)C=C4C5=CC=CC=C5C3=O)C |
| InChIKey | VJUKWPOWHJITTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione (CAS 81-39-0), with molecular formula C24H18N2O2 and molecular weight 366.14 g/mol. IUPAC: 14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione.
Chemical Property Profile of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
Property Insights of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
The XLogP value of 4.7 indicates that 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione has 1 hydrogen bond donor(s) and 3 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-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione?
The CAS number of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione is 81-39-0.
What is the molecular formula of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione?
The molecular formula of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione is C24H18N2O2.
What is the molecular weight of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione?
The molecular weight of 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione is 366.14 g/mol.
Where can I buy 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione?
You can request a quote for 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.