NCIOpen2_007722
TL;DR: NCIOpen2_007722 (CAS 91587-41-6) is a chemical compound with molecular formula C24H16N2O4 and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(3-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Also Known As: NCIOpen2_007722, BAS 00219165, 2,6-bis(3-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone, Benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetrone, 2,6-bis(3-methylphenyl)-, 2,6-Di-m-tolyl-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone
| Molecular Formula | C24H16N2O4 |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.111 |
| Heavy Atoms | 30 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 91587-41-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=CC(=C5)C |
| InChIKey | KHYYZKOAWKXYKK-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007722 (CAS 91587-41-6), with molecular formula C24H16N2O4 and molecular weight 396.11 g/mol. IUPAC: 2,6-bis(3-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
Chemical Property Profile of NCIOpen2_007722
Property Insights of NCIOpen2_007722
The XLogP value of 3.7 indicates that NCIOpen2_007722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_007722. Following Lipinski's Rule of Five, NCIOpen2_007722 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 NCIOpen2_007722?
The CAS number of NCIOpen2_007722 is 91587-41-6.
What is the molecular formula of NCIOpen2_007722?
The molecular formula of NCIOpen2_007722 is C24H16N2O4.
What is the molecular weight of NCIOpen2_007722?
The molecular weight of NCIOpen2_007722 is 396.11 g/mol.
Where can I buy NCIOpen2_007722?
You can request a quote for NCIOpen2_007722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007722?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.