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4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid
TL;DR: 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid (CAS 99769-56-9) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methylidenecyclohexyl)methoxy]-4-oxobutanoic acid
Also Known As: [methyl]hydrogensuccinate|[ methyl]hydrogensuccinate|4-[(4-methylidenecyclohexyl)methoxy]-4-oxobutanoic acid|((4-Methylenecyclohexyl)methyl) hydrogen succinate|[(4-Methylenecyclohexyl)methyl]hydrogen succinate|[(4-methylenecyclohexyl)methyl] hydrogen succinate|Butanedioic acid,1-[(4-methylenecyclohexyl)methyl] ester|Butanedioic acid mono[(4-methylenecyclohexyl)methyl] ester|Butanedioic acid hydrogen 1-[(4-methylenecyclohexyl)methyl] ester|EINECS 309-033-8|AGRYPKJDKAJCRL-UHFFFAOYSA-N
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 99769-56-9 |
|---|---|
| SMILES | C=C1CCC(CC1)COC(=O)CCC(=O)O |
| InChIKey | AGRYPKJDKAJCRL-UHFFFAOYSA-N |
Product Overview
4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid (CAS 99769-56-9), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 4-[(4-methylidenecyclohexyl)methoxy]-4-oxobutanoic acid.
Chemical Property Profile of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid
Property Insights of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid 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 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid?
The CAS number of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid is 99769-56-9.
What is the molecular formula of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid?
The molecular formula of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid is C12H18O4.
What is the molecular weight of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid?
The molecular weight of 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid is 226.12 g/mol.
Where can I buy 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid?
You can request a quote for 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Methylidenecyclohexyl)methoxy]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.