1-Acetoxy-2-butanone
TL;DR: 1-Acetoxy-2-butanone (CAS 1575-57-1) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxobutyl acetate
Also Known As: 2-Oxobutyl acetate, 1-Acetoxy-2-butanone, 1-Hydroxy-2-butanone acetate, 2-Butanone, 1-(acetyloxy)-, 2-oxobutylacetate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 1575-57-1 |
|---|---|
| SMILES | CCC(=O)COC(=O)C |
| InChIKey | LHGWJCBYBIICPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetoxy-2-butanone (CAS 1575-57-1), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 2-oxobutyl acetate.
Chemical Property Profile of 1-Acetoxy-2-butanone
Property Insights of 1-Acetoxy-2-butanone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetoxy-2-butanone. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Acetoxy-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetoxy-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 1-Acetoxy-2-butanone?
The CAS number of 1-Acetoxy-2-butanone is 1575-57-1.
What is the molecular formula of 1-Acetoxy-2-butanone?
The molecular formula of 1-Acetoxy-2-butanone is C6H10O3.
What is the molecular weight of 1-Acetoxy-2-butanone?
The molecular weight of 1-Acetoxy-2-butanone is 130.06 g/mol.
Where can I buy 1-Acetoxy-2-butanone?
You can request a quote for 1-Acetoxy-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoxy-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoxy-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.