N-(4-nitro-o-tolyl)-4-carboxyphthalimide
TL;DR: N-(4-nitro-o-tolyl)-4-carboxyphthalimide (CAS 302953-57-7) 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-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: BAS 00135808, N-(4-nitro-o-tolyl)-4-carboxyphthalimide, 2-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid, 2-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(2-methyl-5-nitrophenyl)-1,3-dioxobenzo[c]azoline-5-carboxylic 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 | 302953-57-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
Product Overview
N-(4-nitro-o-tolyl)-4-carboxyphthalimide (CAS 302953-57-7), with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol. IUPAC: 2-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of N-(4-nitro-o-tolyl)-4-carboxyphthalimide
Property Insights of N-(4-nitro-o-tolyl)-4-carboxyphthalimide
The XLogP value of 2.40202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitro-o-tolyl)-4-carboxyphthalimide. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitro-o-tolyl)-4-carboxyphthalimide. Following Lipinski's Rule of Five, N-(4-nitro-o-tolyl)-4-carboxyphthalimide 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 N-(4-nitro-o-tolyl)-4-carboxyphthalimide?
The CAS number of N-(4-nitro-o-tolyl)-4-carboxyphthalimide is 302953-57-7.
What is the molecular formula of N-(4-nitro-o-tolyl)-4-carboxyphthalimide?
The molecular formula of N-(4-nitro-o-tolyl)-4-carboxyphthalimide is C16H10N2O6.
What is the molecular weight of N-(4-nitro-o-tolyl)-4-carboxyphthalimide?
The molecular weight of N-(4-nitro-o-tolyl)-4-carboxyphthalimide is 326.05 g/mol.
Where can I buy N-(4-nitro-o-tolyl)-4-carboxyphthalimide?
You can request a quote for N-(4-nitro-o-tolyl)-4-carboxyphthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-nitro-o-tolyl)-4-carboxyphthalimide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitro-o-tolyl)-4-carboxyphthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.