3-Oxopropyl acetate
TL;DR: 3-Oxopropyl acetate (CAS 18545-28-3) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxopropyl acetate
Also Known As: 3-Oxopropyl acetate, 3-acetoxypropanal, 3-Acetyloxy-propanal, 3-(Acetyloxy)propanal, 3-acetoxypropionaldehyde
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 18545-28-3 |
|---|---|
| SMILES | CC(=O)OCCC=O |
| InChIKey | PRSPLAWXBFRHKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxopropyl acetate (CAS 18545-28-3), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 3-oxopropyl acetate.
Chemical Property Profile of 3-Oxopropyl acetate
Property Insights of 3-Oxopropyl acetate
The XLogP value of -0.5 indicates that 3-Oxopropyl acetate 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, 3-Oxopropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxopropyl acetate 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 3-Oxopropyl acetate?
The CAS number of 3-Oxopropyl acetate is 18545-28-3.
What is the molecular formula of 3-Oxopropyl acetate?
The molecular formula of 3-Oxopropyl acetate is C5H8O3.
What is the molecular weight of 3-Oxopropyl acetate?
The molecular weight of 3-Oxopropyl acetate is 116.05 g/mol.
Where can I buy 3-Oxopropyl acetate?
You can request a quote for 3-Oxopropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxopropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxopropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.