Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester
TL;DR: Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester (CAS 71808-61-2) is a chemical compound with molecular formula C12H20O5 and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butanoyloxy-3-oxobutan-2-yl) butanoate
Also Known As: 1-Methyl-2-oxopropylidene butyrate, 3,3-Dihydroxy-2-butanone, dibutyrate, 3-Oxobutane-2,2-diyl dibutanoate, Bis 1-methyl-2-oxopropylideneester, Butanoic acid, 1-methyl-2-oxopropylidene ester
| Molecular Formula | C12H20O5 |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 1.9782 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 244.13107 |
| Heavy Atoms | 17 |
| Complexity | 275.27112 |
Chemical Identifiers
| CAS Number | 71808-61-2 |
|---|---|
| SMILES | CCCC(=O)OC(C)(C(=O)C)OC(=O)CCC |
Product Overview
Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester (CAS 71808-61-2), with molecular formula C12H20O5 and molecular weight 244.13 g/mol. IUPAC: (2-butanoyloxy-3-oxobutan-2-yl) butanoate.
Chemical Property Profile of Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester
Property Insights of Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester
The XLogP value of 1.9782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester. Following Lipinski's Rule of Five, Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester 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 Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester?
The CAS number of Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester is 71808-61-2.
What is the molecular formula of Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester?
The molecular formula of Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester is C12H20O5.
What is the molecular weight of Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester?
The molecular weight of Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester is 244.13 g/mol.
Where can I buy Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester?
You can request a quote for Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 1,1'-(1-methyl-2-oxopropylidene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.