1-Propionylethyl acetate
TL;DR: 1-Propionylethyl acetate (CAS 2983-05-3) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxopentan-2-yl acetate
Also Known As: 1-Propionylethyl acetate, 3-oxopentan-2-yl acetate, 1-Propionylethylacetate, 2-Acetoxy-3-pentanone, 1-Methyl-2-oxobutyl acetate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 2983-05-3 |
|---|---|
| SMILES | CCC(=O)C(C)OC(=O)C |
| InChIKey | DYGIVYGSRWAUNB-UHFFFAOYSA-N |
Product Overview
1-Propionylethyl acetate (CAS 2983-05-3), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 3-oxopentan-2-yl acetate.
Chemical Property Profile of 1-Propionylethyl acetate
Property Insights of 1-Propionylethyl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propionylethyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Propionylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propionylethyl 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 1-Propionylethyl acetate?
The CAS number of 1-Propionylethyl acetate is 2983-05-3.
What is the molecular formula of 1-Propionylethyl acetate?
The molecular formula of 1-Propionylethyl acetate is C7H12O3.
What is the molecular weight of 1-Propionylethyl acetate?
The molecular weight of 1-Propionylethyl acetate is 144.08 g/mol.
Where can I buy 1-Propionylethyl acetate?
You can request a quote for 1-Propionylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propionylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Propionylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.