rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
TL;DR: rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate (CAS 67174-68-9) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: Ethyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate, rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate, ethyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.2165 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 279.8466 |
Chemical Identifiers
| CAS Number | 67174-68-9 |
|---|---|
| SMILES | CCOC(=O)[C@H]1[C@@H](CC(=O)C=C1O)C |
Product Overview
rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate (CAS 67174-68-9), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: ethyl (1S,6R)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Property Insights of rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
The XLogP value of 1.2165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate. Following Lipinski's Rule of Five, rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-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 rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The CAS number of rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate is 67174-68-9.
What is the molecular formula of rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular formula of rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate is C10H14O4.
What is the molecular weight of rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular weight of rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate is 198.09 g/mol.
Where can I buy rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
You can request a quote for rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-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 rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for rac-ethyl (1R,6S)-4-hydroxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.