Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate
TL;DR: Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate (CAS 1022147-88-1) is a chemical compound with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-anilino-6-hydroxy-6-methyl-2-(4-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate
Also Known As: Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate, diethyl 4-anilino-6-hydroxy-6-methyl-2-(4-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate, diethyl 3-hydroxy-3-methyl-4'-nitro-5-(phenylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-dicarboxylate, diethyl 6-hydroxy-6-methyl-2-(4-nitrophenyl)-4-(phenylamino)cyclohex-3-ene-1,3-dicarboxylate
| Molecular Formula | C25H28N2O7 |
|---|---|
| Molecular Weight | 468.19 g/mol |
| LogP | 3.9417 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.18964 |
| Heavy Atoms | 34 |
| Complexity | 1078.2029 |
Chemical Identifiers
| CAS Number | 1022147-88-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate (CAS 1022147-88-1), with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol. IUPAC: diethyl 4-anilino-6-hydroxy-6-methyl-2-(4-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate
Property Insights of Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate
The XLogP value of 3.9417 indicates that Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate has 2 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 Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate?
The CAS number of Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate is 1022147-88-1.
What is the molecular formula of Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate?
The molecular formula of Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate is C25H28N2O7.
What is the molecular weight of Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate?
The molecular weight of Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate is 468.19 g/mol.
Where can I buy Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate?
You can request a quote for Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-anilino-4-hydroxy-4-methyl-6-(4-nitrophenyl)cyclohexene-1,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.