Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
TL;DR: Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate (CAS 352644-20-3) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate, cyclohexyl 2-{3-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate, cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindoline-5-carboxylate, cyclohexyl 2-(3-nitrophenyl)-1,3-dioxobenzo[c]azolidine-5-carboxylate, cyclohexyl 2-(3-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 3.8849 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 1025.5814 |
Chemical Identifiers
| CAS Number | 352644-20-3 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate (CAS 352644-20-3), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
Property Insights of Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
The XLogP value of 3.8849 indicates that Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate. Following Lipinski's Rule of Five, Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-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 Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate?
The CAS number of Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate is 352644-20-3.
What is the molecular formula of Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate?
The molecular formula of Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate is C21H18N2O6.
What is the molecular weight of Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate?
The molecular weight of Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate is 394.12 g/mol.
Where can I buy Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate?
You can request a quote for Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.