4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid
TL;DR: 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid (CAS 7499-70-9) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-methyl-3-oxocyclohexen-1-yl)butanoic acid
Also Known As: 4-(6-methyl-3-oxocyclohexen-1-yl)butanoic acid, 4-(6-methyl-3-oxo-1-cyclohexenyl)butanoic acid, 4-(6-methyl-3-oxo-cyclohex-1-enyl)-butyric acid, 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 7499-70-9 |
|---|---|
| SMILES | CC1CCC(=O)C=C1CCCC(=O)O |
| InChIKey | FWHYZFHUBKZLDD-UHFFFAOYSA-N |
Product Overview
4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid (CAS 7499-70-9), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 4-(6-methyl-3-oxocyclohexen-1-yl)butanoic acid.
Chemical Property Profile of 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid
Property Insights of 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid has 1 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 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid?
The CAS number of 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid is 7499-70-9.
What is the molecular formula of 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid?
The molecular formula of 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid is C11H16O3.
What is the molecular weight of 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid?
The molecular weight of 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid is 196.11 g/mol.
Where can I buy 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid?
You can request a quote for 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.