4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione
TL;DR: 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione (CAS 325851-19-2) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(3-oxobutyl)isoindole-1,3-dione
Also Known As: 4-nitro-2-(3-oxobutyl)isoindoline-1,3-dione, 4-nitro-2-(3-oxobutyl)isoindole-1,3-dione
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 1.1699 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 608.1373 |
Chemical Identifiers
| CAS Number | 325851-19-2 |
|---|---|
| SMILES | CC(=O)CCN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-] |
Product Overview
4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione (CAS 325851-19-2), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: 4-nitro-2-(3-oxobutyl)isoindole-1,3-dione.
Chemical Property Profile of 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione
Property Insights of 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione
The XLogP value of 1.1699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione 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 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione?
The CAS number of 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione is 325851-19-2.
What is the molecular formula of 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione?
The molecular formula of 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione is C12H10N2O5.
What is the molecular weight of 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione?
The molecular weight of 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione is 262.06 g/mol.
Where can I buy 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione?
You can request a quote for 4-Nitro-2-(3-oxobutyl)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 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-(3-oxobutyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.