Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
TL;DR: Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate (CAS 40801-43-2) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
Also Known As: methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate, 1,3-Cyclohexadiene-1-carboxylic acid, 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-, methyl ester, 6-(2-Hydroxyphenyl)-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylic acid methyl ester, Methyl 2'-hydroxy-1,5-dimethyl-6-oxo-1,6-dihydro[1,1'-biphenyl]-2-carboxylate, Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylate
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 40801-43-2 |
|---|---|
| SMILES | CC1=CC=C(C(C1=O)(C)C2=CC=CC=C2O)C(=O)OC |
| InChIKey | TYMSLJGRPUNYIN-UHFFFAOYSA-N |
Product Overview
Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate (CAS 40801-43-2), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate.
Chemical Property Profile of Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
Property Insights of Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate has 1 hydrogen bond donor(s) and 4 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 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
The CAS number of Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate is 40801-43-2.
What is the molecular formula of Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
The molecular formula of Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate is C16H16O4.
What is the molecular weight of Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
The molecular weight of Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate is 272.10 g/mol.
Where can I buy Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
You can request a quote for Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.