ChemDiv3_005282
TL;DR: ChemDiv3_005282 (CAS 500263-71-8) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(2-methylpropyl)isoindole-1,3-dione
Also Known As: ChemDiv3_005282, IDI1_023192, 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(2-methylpropyl)isoindole-1,3-dione, AN-979/41068914, BRD-K17186400-001-01-7
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.1242 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 1244.3417 |
Chemical Identifiers
| CAS Number | 500263-71-8 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC(=C(C=C4C(=O)O3)OC)OC |
Product Overview
ChemDiv3_005282 (CAS 500263-71-8), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(2-methylpropyl)isoindole-1,3-dione.
Chemical Property Profile of ChemDiv3_005282
Property Insights of ChemDiv3_005282
The XLogP value of 3.1242 indicates that ChemDiv3_005282 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005282. Following Lipinski's Rule of Five, ChemDiv3_005282 has 0 hydrogen bond donor(s) and 7 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 ChemDiv3_005282?
The CAS number of ChemDiv3_005282 is 500263-71-8.
What is the molecular formula of ChemDiv3_005282?
The molecular formula of ChemDiv3_005282 is C22H20N2O6.
What is the molecular weight of ChemDiv3_005282?
The molecular weight of ChemDiv3_005282 is 408.13 g/mol.
Where can I buy ChemDiv3_005282?
You can request a quote for ChemDiv3_005282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005282?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.