ChemDiv2_003580
TL;DR: ChemDiv2_003580 (CAS 351978-20-6) is a chemical compound with molecular formula C24H14N2O6 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl] acetate
Also Known As: ChemDiv2_003580, IDI1_002295, AB00096122-01, 4-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1,3-dihydro-2H-isoindol-2-yl]phenyl acetate, [4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl] acetate
| Molecular Formula | C24H14N2O6 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.5809 |
| Topological Polar Surface Area | 106.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.08517 |
| Heavy Atoms | 32 |
| Complexity | 1486.8942 |
Chemical Identifiers
| CAS Number | 351978-20-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4 |
Product Overview
ChemDiv2_003580 (CAS 351978-20-6), with molecular formula C24H14N2O6 and molecular weight 426.09 g/mol. IUPAC: [4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl] acetate.
Chemical Property Profile of ChemDiv2_003580
Property Insights of ChemDiv2_003580
The XLogP value of 3.5809 indicates that ChemDiv2_003580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003580. Following Lipinski's Rule of Five, ChemDiv2_003580 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 ChemDiv2_003580?
The CAS number of ChemDiv2_003580 is 351978-20-6.
What is the molecular formula of ChemDiv2_003580?
The molecular formula of ChemDiv2_003580 is C24H14N2O6.
What is the molecular weight of ChemDiv2_003580?
The molecular weight of ChemDiv2_003580 is 426.09 g/mol.
Where can I buy ChemDiv2_003580?
You can request a quote for ChemDiv2_003580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003580?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.