bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
TL;DR: bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate (CAS 1005096-22-9) is a chemical compound with molecular formula C23H31NO8 and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate, diisobutyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate, Bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohexane-1,3-dicarboxylate
| Molecular Formula | C23H31NO8 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 3.033 |
| Topological Polar Surface Area | 133.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.20496 |
| Heavy Atoms | 32 |
| Complexity | 876.5023 |
Chemical Identifiers
| CAS Number | 1005096-22-9 |
|---|---|
| SMILES | CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate (CAS 1005096-22-9), with molecular formula C23H31NO8 and molecular weight 449.20 g/mol. IUPAC: bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Property Insights of bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
The XLogP value of 3.033 indicates that bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.04 Ų falls within the moderate polarity range, balancing permeability and solubility for bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate?
The CAS number of bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate is 1005096-22-9.
What is the molecular formula of bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate?
The molecular formula of bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate is C23H31NO8.
What is the molecular weight of bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate?
The molecular weight of bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate is 449.20 g/mol.
Where can I buy bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate?
You can request a quote for bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for bis(2-methylpropyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.