2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione (CAS 2674-65-9) 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.
2-(4-nitro-3-oxobutyl)isoindole-1,3-dione
Also Known As: starbld0043897, CBKinase1_004096, CBKinase1_016496, 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione, 2-(4-Nitro-3-oxobutyl)isoindoline-1,3-dione
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 0.5185 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 546.2374 |
Chemical Identifiers
| CAS Number | 2674-65-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)C[N+](=O)[O-] |
Product Overview
2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione (CAS 2674-65-9), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: 2-(4-nitro-3-oxobutyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.5185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-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 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione is 2674-65-9.
What is the molecular formula of 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione is C12H10N2O5.
What is the molecular weight of 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione is 262.06 g/mol.
Where can I buy 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitro-3-oxobutyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.