Methyl 3,3-dimethyl-2-oxobutyrate
TL;DR: Methyl 3,3-dimethyl-2-oxobutyrate (CAS 38941-46-7) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3-dimethyl-2-oxobutanoate
Also Known As: methyl 3,3-dimethyl-2-oxobutanoate, Methyl 3,3-dimethyl-2-oxobutyrate, EINECS 254-201-5, Methyl3,3-dimethyl-2-oxobutyrate, methyl 3,3-dimethyl-2-oxo-butanoate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.7746 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 152.72438 |
Chemical Identifiers
| CAS Number | 38941-46-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=O)OC |
Product Overview
Methyl 3,3-dimethyl-2-oxobutyrate (CAS 38941-46-7), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: methyl 3,3-dimethyl-2-oxobutanoate.
Chemical Property Profile of Methyl 3,3-dimethyl-2-oxobutyrate
Property Insights of Methyl 3,3-dimethyl-2-oxobutyrate
The XLogP value of 0.7746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3-dimethyl-2-oxobutyrate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3,3-dimethyl-2-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3-dimethyl-2-oxobutyrate 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 3,3-dimethyl-2-oxobutyrate?
The CAS number of Methyl 3,3-dimethyl-2-oxobutyrate is 38941-46-7.
What is the molecular formula of Methyl 3,3-dimethyl-2-oxobutyrate?
The molecular formula of Methyl 3,3-dimethyl-2-oxobutyrate is C7H12O3.
What is the molecular weight of Methyl 3,3-dimethyl-2-oxobutyrate?
The molecular weight of Methyl 3,3-dimethyl-2-oxobutyrate is 144.08 g/mol.
Where can I buy Methyl 3,3-dimethyl-2-oxobutyrate?
You can request a quote for Methyl 3,3-dimethyl-2-oxobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3-dimethyl-2-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3-dimethyl-2-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.