5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester
TL;DR: 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester (CAS 331965-96-9) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-benzoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
Also Known As: BAS 00701676, methyl 5-benzoyl-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester, methyl 5-benzoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate, methyl 2,2-dimethyl-4,6-dioxo-5-(phenylcarbonyl)cyclohexanecarboxylate
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 1.8428 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 629.7092 |
Chemical Identifiers
| CAS Number | 331965-96-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1C(=O)OC)C(=O)C2=CC=CC=C2)C |
Product Overview
5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester (CAS 331965-96-9), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: methyl 5-benzoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester
Property Insights of 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester
The XLogP value of 1.8428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester. Following Lipinski's Rule of Five, 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester has 0 hydrogen bond donor(s) and 5 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 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester?
The CAS number of 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester is 331965-96-9.
What is the molecular formula of 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester?
The molecular formula of 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester is C17H18O5.
What is the molecular weight of 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester?
The molecular weight of 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester is 302.12 g/mol.
Where can I buy 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester?
You can request a quote for 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzoyl-2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.