1,4-Diacetoxy-2-oxobutane
TL;DR: 1,4-Diacetoxy-2-oxobutane (CAS 33245-14-6) is a chemical compound with molecular formula C8H12O5 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-3-oxobutyl) acetate
Also Known As: 1,4-DIACETOXY-2-OXOBUTANE, (4-acetyloxy-3-oxobutyl) acetate, (4-Acetoxy-3-oxo-butyl) acetate, ghl.PD_Mitscher_leg0.690, 1,4-diacetoxy-2-butanone
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 0.0718 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 208.57993 |
Chemical Identifiers
| CAS Number | 33245-14-6 |
|---|---|
| SMILES | CC(=O)OCCC(=O)COC(=O)C |
Product Overview
1,4-Diacetoxy-2-oxobutane (CAS 33245-14-6), with molecular formula C8H12O5 and molecular weight 188.07 g/mol. IUPAC: (4-acetyloxy-3-oxobutyl) acetate.
Chemical Property Profile of 1,4-Diacetoxy-2-oxobutane
Property Insights of 1,4-Diacetoxy-2-oxobutane
The XLogP value of 0.0718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diacetoxy-2-oxobutane. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diacetoxy-2-oxobutane. Following Lipinski's Rule of Five, 1,4-Diacetoxy-2-oxobutane has 0 hydrogen bond donor(s) and 5 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 1,4-Diacetoxy-2-oxobutane?
The CAS number of 1,4-Diacetoxy-2-oxobutane is 33245-14-6.
What is the molecular formula of 1,4-Diacetoxy-2-oxobutane?
The molecular formula of 1,4-Diacetoxy-2-oxobutane is C8H12O5.
What is the molecular weight of 1,4-Diacetoxy-2-oxobutane?
The molecular weight of 1,4-Diacetoxy-2-oxobutane is 188.07 g/mol.
Where can I buy 1,4-Diacetoxy-2-oxobutane?
You can request a quote for 1,4-Diacetoxy-2-oxobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diacetoxy-2-oxobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diacetoxy-2-oxobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.