Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
TL;DR: Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate (CAS 40801-44-3) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
Also Known As: methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate, 1,3-Cyclohexadiene-1-carboxylic acid, 6-[2-(acetyloxy)phenyl]-4,6-dimethyl-5-oxo-, methyl ester, 6-[2- phenyl]-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylicacidmethylester, Methyl 2'-(acetyloxy)-1,5-dimethyl-6-oxo-1,6-dihydro[1,1'-biphenyl]-2-carboxylate, Methyl 6-[2-(acetyloxy)phenyl]-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylate
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 40801-44-3 |
|---|---|
| SMILES | CC1=CC=C(C(C1=O)(C)C2=CC=CC=C2OC(=O)C)C(=O)OC |
| InChIKey | PHOMRWLFISONIP-UHFFFAOYSA-N |
Product Overview
Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate (CAS 40801-44-3), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate.
Chemical Property Profile of Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
Property Insights of Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate 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 Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
The CAS number of Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate is 40801-44-3.
What is the molecular formula of Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
The molecular formula of Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate is C18H18O5.
What is the molecular weight of Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
The molecular weight of Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate is 314.12 g/mol.
Where can I buy Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
You can request a quote for Methyl 6-(2-acetyloxyphenyl)-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-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.