Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
TL;DR: Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate (CAS 56157-27-8) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, methyl 2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate, methyl 4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate, Methyl 4-hydroxy-6-methyl-2-oxocyclohex-3-enecarboxylate, 9P-914
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.8264 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 266.78827 |
Chemical Identifiers
| CAS Number | 56157-27-8 |
|---|---|
| SMILES | CC1CC(=O)C=C(C1C(=O)OC)O |
Product Overview
Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate (CAS 56157-27-8), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: methyl 2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
Property Insights of Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
The XLogP value of 0.8264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-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 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
The CAS number of Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate is 56157-27-8.
What is the molecular formula of Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
The molecular formula of Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate is C9H12O4.
What is the molecular weight of Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
The molecular weight of Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate is 184.07 g/mol.
Where can I buy Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
You can request a quote for Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-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 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.