di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
TL;DR: di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 1005050-67-8) is a chemical compound with molecular formula C26H38O6 and molecular weight 446.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate
Also Known As: di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate, 1,3-DI-TERT-BUTYL 4-HYDROXY-4-METHYL-6-OXO-2-[4-(PROPAN-2-YL)PHENYL]CYCLOHEXANE-1,3-DICARBOXYLATE, di-tert-butyl 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylate
| Molecular Formula | C26H38O6 |
|---|---|
| Molecular Weight | 446.27 g/mol |
| LogP | 4.5332 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.26685 |
| Heavy Atoms | 32 |
| Complexity | 851.7887 |
Chemical Identifiers
| CAS Number | 1005050-67-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)OC(C)(C)C)(C)O)C(=O)OC(C)(C)C |
Product Overview
di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 1005050-67-8), with molecular formula C26H38O6 and molecular weight 446.27 g/mol. IUPAC: ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxylate.
Chemical Property Profile of di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Property Insights of di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
The XLogP value of 4.5332 indicates that di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate has 1 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 di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The CAS number of di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 1005050-67-8.
What is the molecular formula of di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular formula of di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is C26H38O6.
What is the molecular weight of di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular weight of di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 446.27 g/mol.
Where can I buy di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
You can request a quote for di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-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 di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for di-tert-butyl 4-hydroxy-2-(4-isopropylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.