5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
TL;DR: 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione (CAS 312595-00-9) is a chemical compound with molecular formula C22H13N3O4 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
Also Known As: AB00096076-01, 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione, 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione, 5-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindoline-1,3-dione, 5-(4-Oxo-4H-benzo[d][1,3]oxazin-2-yl)-2-pyridin-3-ylmethyl-isoindole-1,3-dione
| Molecular Formula | C22H13N3O4 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.0462 |
| Topological Polar Surface Area | 93.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0906 |
| Heavy Atoms | 29 |
| Complexity | 1345.2799 |
Chemical Identifiers
| CAS Number | 312595-00-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5 |
Product Overview
5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione (CAS 312595-00-9), with molecular formula C22H13N3O4 and molecular weight 383.09 g/mol. IUPAC: 5-(4-oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione.
Chemical Property Profile of 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
Property Insights of 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
The XLogP value of 3.0462 indicates that 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione has 0 hydrogen bond donor(s) and 6 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 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The CAS number of 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is 312595-00-9.
What is the molecular formula of 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The molecular formula of 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is C22H13N3O4.
What is the molecular weight of 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The molecular weight of 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is 383.09 g/mol.
Where can I buy 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
You can request a quote for 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Oxo-3,1-benzoxazin-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.