Butyl acetoxyacetate
TL;DR: Butyl acetoxyacetate (CAS 85237-83-8) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-acetyloxyacetate
Also Known As: Butyl acetoxyacetate, butyl 2-acetyloxyacetate, Butyl 2-acetoxyacetate, Butyl (acetyloxy)acetate, EINECS 286-445-3
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.8928 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 153.13686 |
Chemical Identifiers
| CAS Number | 85237-83-8 |
|---|---|
| SMILES | CCCCOC(=O)COC(=O)C |
Product Overview
Butyl acetoxyacetate (CAS 85237-83-8), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: butyl 2-acetyloxyacetate.
Chemical Property Profile of Butyl acetoxyacetate
Property Insights of Butyl acetoxyacetate
The XLogP value of 0.8928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl acetoxyacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Butyl acetoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl acetoxyacetate has 0 hydrogen bond donor(s) and 4 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 Butyl acetoxyacetate?
The CAS number of Butyl acetoxyacetate is 85237-83-8.
What is the molecular formula of Butyl acetoxyacetate?
The molecular formula of Butyl acetoxyacetate is C8H14O4.
What is the molecular weight of Butyl acetoxyacetate?
The molecular weight of Butyl acetoxyacetate is 174.09 g/mol.
Where can I buy Butyl acetoxyacetate?
You can request a quote for Butyl acetoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl acetoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl acetoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.