Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate
TL;DR: Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate (CAS 199190-62-0) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate
Also Known As: ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate, Cyclohexa-2,4-dienecarboxylic acid, 4-hydroxy-1-methyl-6-oxo-, ethyl ester, 2,4-Cyclohexadiene-1-carboxylicacid,4-hydroxy-1-methyl-6-oxo-,ethylester(9CI), ETHYL 4-HYDROXY-1-METHYL-6-OXO-2,4-CYCLOHEXADIENE-1-CARBOXYLATE, 2,4-Cyclohexadiene-1-carboxylic acid, 4-hydroxy-1-methyl-6-oxo-, ethyl ester (9CI)
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.1366 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 327.0137 |
Chemical Identifiers
| CAS Number | 199190-62-0 |
|---|---|
| SMILES | CCOC(=O)C1(C=CC(=CC1=O)O)C |
Product Overview
Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate (CAS 199190-62-0), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate
Property Insights of Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate
The XLogP value of 1.1366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-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 Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate?
The CAS number of Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate is 199190-62-0.
What is the molecular formula of Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate?
The molecular formula of Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate is C10H12O4.
What is the molecular weight of Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate?
The molecular weight of Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate is 196.07 g/mol.
Where can I buy Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate?
You can request a quote for Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-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 Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.