Butyl oxoacetate
TL;DR: Butyl oxoacetate (CAS 6295-06-3) 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.
butyl 2-oxoacetate
Also Known As: Butyl glyoxylate, butyl 2-oxoacetate, Butyl oxoacetate, Butyl glyoxalate, N-Butyl glyoxylate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 6295-06-3 |
|---|---|
| SMILES | CCCCOC(=O)C=O |
| InChIKey | NRYDRJHYTRBBEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl oxoacetate (CAS 6295-06-3), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: butyl 2-oxoacetate.
Chemical Property Profile of Butyl oxoacetate
Property Insights of Butyl oxoacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl oxoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Butyl oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl oxoacetate 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 Butyl oxoacetate?
The CAS number of Butyl oxoacetate is 6295-06-3.
What is the molecular formula of Butyl oxoacetate?
The molecular formula of Butyl oxoacetate is C6H10O3.
What is the molecular weight of Butyl oxoacetate?
The molecular weight of Butyl oxoacetate is 130.06 g/mol.
Where can I buy Butyl oxoacetate?
You can request a quote for Butyl oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.