RefChem:239261
TL;DR: RefChem:239261 (CAS 5117-99-7) is a chemical compound with molecular formula C24H17N3O4 and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Also Known As: BIM-0043495.P001, 2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-, 2-((3,4-Dihydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-1H-isoindole-1,3(2H)-dione, 2-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
| Molecular Formula | C24H17N3O4 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.12192 |
| Heavy Atoms | 31 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 5117-99-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN4C(=O)C5=CC=CC=C5C4=O |
| InChIKey | ZXOGMFSXRWAZPB-UHFFFAOYSA-N |
Product Overview
RefChem:239261 (CAS 5117-99-7), with molecular formula C24H17N3O4 and molecular weight 411.12 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione.
Chemical Property Profile of RefChem:239261
Property Insights of RefChem:239261
The XLogP value of 3.1 indicates that RefChem:239261 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239261. Following Lipinski's Rule of Five, RefChem:239261 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 RefChem:239261?
The CAS number of RefChem:239261 is 5117-99-7.
What is the molecular formula of RefChem:239261?
The molecular formula of RefChem:239261 is C24H17N3O4.
What is the molecular weight of RefChem:239261?
The molecular weight of RefChem:239261 is 411.12 g/mol.
Where can I buy RefChem:239261?
You can request a quote for RefChem:239261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239261?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.