2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
TL;DR: 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 351983-70-5) is a chemical compound with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoic acid
Also Known As: AB00095209-01, 2-methyl-3-(5-nitro-1,3-dioxo-isoindol-2-yl)benzoic Acid, 2-methyl-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoic acid, 2-methyl-3-(5-nitro-1,3-dioxoisoindolin-2-yl)benzoic acid, 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
| Molecular Formula | C16H10N2O6 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.40202 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0539 |
| Heavy Atoms | 24 |
| Complexity | 934.16003 |
Chemical Identifiers
| CAS Number | 351983-70-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O |
Product Overview
2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 351983-70-5), with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol. IUPAC: 2-methyl-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoic acid.
Chemical Property Profile of 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Property Insights of 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
The XLogP value of 2.40202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic 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 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The CAS number of 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 351983-70-5.
What is the molecular formula of 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular formula of 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is C16H10N2O6.
What is the molecular weight of 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular weight of 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 326.05 g/mol.
Where can I buy 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
You can request a quote for 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.