Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
TL;DR: Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate (CAS 1005108-50-8) is a chemical compound with molecular formula C19H22O6 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
Also Known As: methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate, AB00371204-03, Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxo-cyclohexyl)benzoate
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 1.691 |
| Topological Polar Surface Area | 97.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 715.9348 |
Chemical Identifiers
| CAS Number | 1005108-50-8 |
|---|---|
| SMILES | CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate (CAS 1005108-50-8), with molecular formula C19H22O6 and molecular weight 346.14 g/mol. IUPAC: methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate.
Chemical Property Profile of Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
Property Insights of Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate
The XLogP value of 1.691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate. The TPSA of 97.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate 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 Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate?
The CAS number of Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate is 1005108-50-8.
What is the molecular formula of Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate?
The molecular formula of Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate is C19H22O6.
What is the molecular weight of Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate?
The molecular weight of Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate is 346.14 g/mol.
Where can I buy Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate?
You can request a quote for Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.