4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid
TL;DR: 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid (CAS 18635-95-5) is a chemical compound with molecular formula C14H14N2O6 and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoic acid
Also Known As: cyclopenta[cd]pyren-3(4H)-one, 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid, 4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoic acid, 4-Methyl-2-(4-nitro-1,3-dioxoisoindolin-2-yl)pentanoic acid, 4-methyl-2-(4-nitro-1,3-dioxo-isoindol-2-yl)pentanoic Acid
| Molecular Formula | C14H14N2O6 |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 1.6901 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.08517 |
| Heavy Atoms | 22 |
| Complexity | 681.9107 |
Chemical Identifiers
| CAS Number | 18635-95-5 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-] |
Product Overview
4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid (CAS 18635-95-5), with molecular formula C14H14N2O6 and molecular weight 306.09 g/mol. IUPAC: 4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoic acid.
Chemical Property Profile of 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid
Property Insights of 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid
The XLogP value of 1.6901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid. Following Lipinski's Rule of Five, 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid has 1 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-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid?
The CAS number of 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid is 18635-95-5.
What is the molecular formula of 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid?
The molecular formula of 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid is C14H14N2O6.
What is the molecular weight of 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid?
The molecular weight of 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid is 306.09 g/mol.
Where can I buy 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid?
You can request a quote for 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.