![diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate structure](/static/products/1005/1005106-16-0.webp)
diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
TL;DR: diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate (CAS 1005106-16-0) is a chemical compound with molecular formula C27H41NO6 and molecular weight 475.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, AQ-149/41675228, bis(2-methylpropyl) 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, A3116/0132033, diisobutyl 2-(4-(diethylamino)phenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C27H41NO6 |
|---|---|
| Molecular Weight | 475.29 g/mol |
| LogP | 3.971 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 475.2934 |
| Heavy Atoms | 34 |
| Complexity | 841.1812 |
Chemical Identifiers
| CAS Number | 1005106-16-0 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OCC(C)C)(C)O)C(=O)OCC(C)C |
Product Overview
diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate (CAS 1005106-16-0), with molecular formula C27H41NO6 and molecular weight 475.29 g/mol. IUPAC: bis(2-methylpropyl) 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
Property Insights of diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
The XLogP value of 3.971 indicates that diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate. Following Lipinski's Rule of Five, diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate has 1 hydrogen bond donor(s) and 7 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 diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?
The CAS number of diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is 1005106-16-0.
What is the molecular formula of diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?
The molecular formula of diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is C27H41NO6.
What is the molecular weight of diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?
The molecular weight of diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is 475.29 g/mol.
Where can I buy diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?
You can request a quote for diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diisobutyl 2-[4-(diethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.