![methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate structure](/static/products/940/94089-47-1.png)
methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
TL;DR: methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate (CAS 94089-47-1) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
Also Known As: Triethyl orthoacetate, methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate, - -2- -2-METHYLCYCLOHEXANONE, (+)-Methyl (R)-3-(1-methyl-2-oxocyclohexyl)propionate, (R)-(+)-2-(2-Carbomethoxyethyl)-2-methylcyclohexanone
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.089 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 234.68715 |
Chemical Identifiers
| CAS Number | 94089-47-1 |
|---|---|
| SMILES | C[C@@]1(CCCCC1=O)CCC(=O)OC |
Product Overview
methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate (CAS 94089-47-1), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate.
Chemical Property Profile of methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
Property Insights of methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
The XLogP value of 2.089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate. With a topological polar surface area (TPSA) of 43.37 Ų, methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate 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 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate?
The CAS number of methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate is 94089-47-1.
What is the molecular formula of methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate?
The molecular formula of methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate is C11H18O3.
What is the molecular weight of methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate?
The molecular weight of methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate is 198.13 g/mol.
Where can I buy methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate?
You can request a quote for methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.