diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
TL;DR: diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 1005036-65-6) is a chemical compound with molecular formula C21H28O7 and molecular weight 392.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, dipropan-2-yl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-BIS(PROPAN-2-YL) 4-HYDROXY-2-(3-HYDROXYPHENYL)-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE, Opera_ID_738
| Molecular Formula | C21H28O7 |
|---|---|
| Molecular Weight | 392.18 g/mol |
| LogP | 2.3352 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1835 |
| Heavy Atoms | 28 |
| Complexity | 742.8759 |
Chemical Identifiers
| CAS Number | 1005036-65-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC(=CC=C2)O |
Product Overview
diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 1005036-65-6), with molecular formula C21H28O7 and molecular weight 392.18 g/mol. IUPAC: dipropan-2-yl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Property Insights of diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
The XLogP value of 2.3352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate has 2 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 diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The CAS number of diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 1005036-65-6.
What is the molecular formula of diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular formula of diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is C21H28O7.
What is the molecular weight of diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular weight of diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 392.18 g/mol.
Where can I buy diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
You can request a quote for diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-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 diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.