4-(Acetyloxy)-2-butanone
TL;DR: 4-(Acetyloxy)-2-butanone (CAS 10150-87-5) 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.
3-oxobutyl acetate
Also Known As: 3-Oxobutyl acetate, 2-Butanone, 4-(acetyloxy)-, 4-Acetoxy-2-butanone, 4-(acetyloxy)-2-Butanone, Acetylathylacetat
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | -0.2 |
| 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 | 10150-87-5 |
|---|---|
| SMILES | CC(=O)CCOC(=O)C |
| InChIKey | NWCYECXHIYEBJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetyloxy)-2-butanone (CAS 10150-87-5), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 3-oxobutyl acetate.
Chemical Property Profile of 4-(Acetyloxy)-2-butanone
Property Insights of 4-(Acetyloxy)-2-butanone
The XLogP value of -0.2 indicates that 4-(Acetyloxy)-2-butanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, 4-(Acetyloxy)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Acetyloxy)-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-(Acetyloxy)-2-butanone?
The CAS number of 4-(Acetyloxy)-2-butanone is 10150-87-5.
What is the molecular formula of 4-(Acetyloxy)-2-butanone?
The molecular formula of 4-(Acetyloxy)-2-butanone is C6H10O3.
What is the molecular weight of 4-(Acetyloxy)-2-butanone?
The molecular weight of 4-(Acetyloxy)-2-butanone is 130.06 g/mol.
Where can I buy 4-(Acetyloxy)-2-butanone?
You can request a quote for 4-(Acetyloxy)-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-(Acetyloxy)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetyloxy)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.