2-oxoethyl Butanoate
TL;DR: 2-oxoethyl Butanoate (CAS 136831-95-3) 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-oxoethyl butanoate
Also Known As: 2-oxoethyl butyrate, 2-oxoethyl Butanoate, 2-oxoethylbutanoate, 2-n-butyryloxyacetaldehyde, starbld0009496
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.5286 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 98.4761 |
Chemical Identifiers
| CAS Number | 136831-95-3 |
|---|---|
| SMILES | CCCC(=O)OCC=O |
Product Overview
2-oxoethyl Butanoate (CAS 136831-95-3), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 2-oxoethyl butanoate.
Chemical Property Profile of 2-oxoethyl Butanoate
Property Insights of 2-oxoethyl Butanoate
The XLogP value of 0.5286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxoethyl Butanoate. With a topological polar surface area (TPSA) of 43.37 Ų, 2-oxoethyl Butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxoethyl Butanoate 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 2-oxoethyl Butanoate?
The CAS number of 2-oxoethyl Butanoate is 136831-95-3.
What is the molecular formula of 2-oxoethyl Butanoate?
The molecular formula of 2-oxoethyl Butanoate is C6H10O3.
What is the molecular weight of 2-oxoethyl Butanoate?
The molecular weight of 2-oxoethyl Butanoate is 130.06 g/mol.
Where can I buy 2-oxoethyl Butanoate?
You can request a quote for 2-oxoethyl Butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxoethyl Butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxoethyl Butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.