4,4-Dimethoxy-2-butanone
TL;DR: 4,4-Dimethoxy-2-butanone (CAS 5436-21-5) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxybutan-2-one
Also Known As: 4,4-dimethoxybutan-2-one, 4,4-Dimethoxy-2-butanone, Acetylacetaldehyde dimethyl acetal, 2-Butanone, 4,4-dimethoxy-, 1,1-Dimethoxy-3-butanone
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 5436-21-5 |
|---|---|
| SMILES | CC(=O)CC(OC)OC |
| InChIKey | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethoxy-2-butanone (CAS 5436-21-5), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 4,4-dimethoxybutan-2-one.
Chemical Property Profile of 4,4-Dimethoxy-2-butanone
Property Insights of 4,4-Dimethoxy-2-butanone
The XLogP value of -0.3 indicates that 4,4-Dimethoxy-2-butanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.5 Ų, 4,4-Dimethoxy-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethoxy-2-butanone 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 4,4-Dimethoxy-2-butanone?
The CAS number of 4,4-Dimethoxy-2-butanone is 5436-21-5.
What is the molecular formula of 4,4-Dimethoxy-2-butanone?
The molecular formula of 4,4-Dimethoxy-2-butanone is C6H12O3.
What is the molecular weight of 4,4-Dimethoxy-2-butanone?
The molecular weight of 4,4-Dimethoxy-2-butanone is 132.08 g/mol.
Where can I buy 4,4-Dimethoxy-2-butanone?
You can request a quote for 4,4-Dimethoxy-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxy-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxy-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.