Acetyl isobutyryl
TL;DR: Acetyl isobutyryl (CAS 7493-58-5) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpentane-2,3-dione
Also Known As: Acetyl isobutyryl, 4-Methylpentane-2,3-dione, acetylisobutyryl, 4-METHYL-2,3-PENTANEDIONE, Isopropyl methyl diketone
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
| Melting Point | -2.40 °C. @ 760.00 mm Hg |
| Boiling Point | 116.00 to 118.00 °C. @ 760.00 mm Hg |
| Density | 0.941-0.950 (20°) |
| Refractive Index | 1.397-1.405 |
Chemical Identifiers
| CAS Number | 7493-58-5 |
|---|---|
| SMILES | CC(C)C(=O)C(=O)C |
| InChIKey | JENYBWHRLYZSSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetyl isobutyryl (CAS 7493-58-5), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 4-methylpentane-2,3-dione.
Chemical Property Profile of Acetyl isobutyryl
Property Insights of Acetyl isobutyryl
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl isobutyryl. With a topological polar surface area (TPSA) of 34.1 Ų, Acetyl isobutyryl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl isobutyryl has 0 hydrogen bond donor(s) and 2 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 Acetyl isobutyryl?
The CAS number of Acetyl isobutyryl is 7493-58-5.
What is the molecular formula of Acetyl isobutyryl?
The molecular formula of Acetyl isobutyryl is C6H10O2.
What is the molecular weight of Acetyl isobutyryl?
The molecular weight of Acetyl isobutyryl is 114.07 g/mol.
Where can I buy Acetyl isobutyryl?
You can request a quote for Acetyl isobutyryl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl isobutyryl?
Yes, KEHONG BIO provides custom synthesis services for Acetyl isobutyryl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.