Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
TL;DR: Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate (CAS 27871-89-2) is a chemical compound with molecular formula C13H20O4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
Also Known As: CYC075, methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate, Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-enecarboxylate, Methyl 2,4-dioxo-6-pentylcyclohexanecarboxylate, methyl 2-hydroxy-4-oxo-6-pentyl-2-cyclohexene-1-carboxylate
| Molecular Formula | C13H20O4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.3868 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.13615 |
| Heavy Atoms | 17 |
| Complexity | 319.38116 |
Chemical Identifiers
| CAS Number | 27871-89-2 |
|---|---|
| SMILES | CCCCCC1CC(=O)C=C(C1C(=O)OC)O |
Product Overview
Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate (CAS 27871-89-2), with molecular formula C13H20O4 and molecular weight 240.14 g/mol. IUPAC: methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
Property Insights of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
The XLogP value of 2.3868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-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 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate?
The CAS number of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate is 27871-89-2.
What is the molecular formula of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate?
The molecular formula of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate is C13H20O4.
What is the molecular weight of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate?
The molecular weight of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate is 240.14 g/mol.
Where can I buy Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate?
You can request a quote for Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-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 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.