Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester
TL;DR: Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester (CAS 7299-98-1) is a chemical compound with molecular formula C21H36O8 and molecular weight 416.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-butanoyloxy-2,2-bis(butanoyloxymethyl)propyl] butanoate
Also Known As: pentaerythritol tetrabutyrate, Pentaerythritol tetrabutanoate, 3-(butanoyloxy)-2,2-bis[(butanoyloxy)methyl]propyl butanoate, Butanoic acid, 2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl ester, Butanoic acid, 2,2-bis[(1-oxobutoxy)methyl]-1,3-propanediyl ester
| Molecular Formula | C21H36O8 |
|---|---|
| Molecular Weight | 416.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 416.24103 |
| Heavy Atoms | 29 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 7299-98-1 |
|---|---|
| SMILES | CCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCC)COC(=O)CCC |
| InChIKey | JMIAMWJLFMGGPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester (CAS 7299-98-1), with molecular formula C21H36O8 and molecular weight 416.24 g/mol. IUPAC: [3-butanoyloxy-2,2-bis(butanoyloxymethyl)propyl] butanoate.
Chemical Property Profile of Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester
Property Insights of Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester
The XLogP value of 3.2 indicates that Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester. Following Lipinski's Rule of Five, Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester has 0 hydrogen bond donor(s) and 8 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'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester?
The CAS number of Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester is 7299-98-1.
What is the molecular formula of Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester?
The molecular formula of Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester is C21H36O8.
What is the molecular weight of Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester?
The molecular weight of Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester is 416.24 g/mol.
Where can I buy Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester?
You can request a quote for Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) 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'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 1,1'-(2,2-bis((1-oxobutoxy)methyl)-1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.