methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
TL;DR: methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 313259-28-8) 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.
methyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: BAS 00315756, F0722-0980, methyl 2-(4-nitrophenyl)-1,3-dioxoisoindoline-5-carboxylate, methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate, methyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
| Molecular Formula | C16H10N2O6 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.182 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0539 |
| Heavy Atoms | 24 |
| Complexity | 887.9407 |
Chemical Identifiers
| CAS Number | 313259-28-8 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 313259-28-8), with molecular formula C16H10N2O6 and molecular weight 326.05 g/mol. IUPAC: methyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Property Insights of methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
The XLogP value of 2.182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate has 0 hydrogen bond donor(s) and 6 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 methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The CAS number of methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 313259-28-8.
What is the molecular formula of methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular formula of methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is C16H10N2O6.
What is the molecular weight of methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular weight of methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 326.05 g/mol.
Where can I buy methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
You can request a quote for methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.