Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate
TL;DR: Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate (CAS 174642-98-9) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-4-oxo-6-propan-2-ylcyclohex-2-ene-1-carboxylate
Also Known As: methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate, methyl 6-isopropyl-2-methyl-4-oxocyclohex-2-enecarboxylate, methyl 2-methyl-4-oxo-6-propan-2-ylcyclohex-2-ene-1-carboxylate, METHYL 6-ISOPROPYL-2-METHYL-4-OXOCYCLOHEX-2-ENE-1-CARBOXYLATE, methyl 6-isopropyl-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.9669 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 301.9891 |
Chemical Identifiers
| CAS Number | 174642-98-9 |
|---|---|
| SMILES | CC1=CC(=O)CC(C1C(=O)OC)C(C)C |
Product Overview
Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate (CAS 174642-98-9), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: methyl 2-methyl-4-oxo-6-propan-2-ylcyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate
Property Insights of Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate
The XLogP value of 1.9669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate has 0 hydrogen bond donor(s) and 3 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-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate?
The CAS number of Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate is 174642-98-9.
What is the molecular formula of Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate?
The molecular formula of Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate is C12H18O3.
What is the molecular weight of Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate?
The molecular weight of Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate is 210.13 g/mol.
Where can I buy Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate?
You can request a quote for Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-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-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.