4-Methoxy-2-methyl-4-oxobutanoic acid
TL;DR: 4-Methoxy-2-methyl-4-oxobutanoic acid (CAS 81025-83-4) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-methyl-4-oxobutanoic acid
Also Known As: 4-methoxy-2-methyl-4-oxobutanoic acid, nchembio781-comp1, 3-Pyrrolidinecarboxylic acid, (S)-4-Methoxy-2-methyl-4-oxobutanoic acid, (R)-4-methoxy-2-methyl-4-oxobutanoic acid
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | 0.2702 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 140.68324 |
Chemical Identifiers
| CAS Number | 81025-83-4 |
|---|---|
| SMILES | CC(CC(=O)OC)C(=O)O |
Product Overview
4-Methoxy-2-methyl-4-oxobutanoic acid (CAS 81025-83-4), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: 4-methoxy-2-methyl-4-oxobutanoic acid.
Chemical Property Profile of 4-Methoxy-2-methyl-4-oxobutanoic acid
Property Insights of 4-Methoxy-2-methyl-4-oxobutanoic acid
The XLogP value of 0.2702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2-methyl-4-oxobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-2-methyl-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-Methoxy-2-methyl-4-oxobutanoic 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-Methoxy-2-methyl-4-oxobutanoic acid?
The CAS number of 4-Methoxy-2-methyl-4-oxobutanoic acid is 81025-83-4.
What is the molecular formula of 4-Methoxy-2-methyl-4-oxobutanoic acid?
The molecular formula of 4-Methoxy-2-methyl-4-oxobutanoic acid is C6H10O4.
What is the molecular weight of 4-Methoxy-2-methyl-4-oxobutanoic acid?
The molecular weight of 4-Methoxy-2-methyl-4-oxobutanoic acid is 146.06 g/mol.
Where can I buy 4-Methoxy-2-methyl-4-oxobutanoic acid?
You can request a quote for 4-Methoxy-2-methyl-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-Methoxy-2-methyl-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2-methyl-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.