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diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate structure
Fine Chemical

diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

TL;DR: diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate (CAS 1005150-13-9) is a chemical compound with molecular formula C25H34O8 and molecular weight 462.22537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

bis(2-methylpropyl) 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Also Known As: diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, AQ-149/41675237, bis(2-methylpropyl) 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, bis(2-methylpropyl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diisobutyl 4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

CAS Number
1005150-13-9
Molecular Formula
C25H34O8
Molecular Weight
462.22537 g/mol
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Technical Specifications

Molecular FormulaC25H34O8
Molecular Weight462.22537 g/mol
XLogP4.0
Topological Polar Surface Area (TPSA)116.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors8
Rotatable Bonds11
Exact Mass462.22537 Da
Heavy Atoms33
Complexity722.0
SMILESCC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)C(=O)OC
InChIKeyKCYAMSVWSIIKMK-UHFFFAOYSA-N

Chemical Property Profile of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

XLogP
4.0
TPSA (Topological Polar Surface Area)
116.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
8
Rotatable Bonds
11
Heavy Atoms
33
Complexity
722.0
Exact Mass
462.22537
Monoisotopic Mass
462.22537
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

The XLogP value of 4.0 indicates that diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate. Following Lipinski's Rule of Five, diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate 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

What is the CAS number of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?

The CAS number of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is 1005150-13-9.

What is the molecular formula of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?

The molecular formula of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is C25H34O8.

What is the molecular weight of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?

The molecular weight of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is 462.22537 g/mol.

Where can I buy diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?

You can request a quote for diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate?

Yes, CoreyChem provides custom synthesis services for diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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