1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate
TL;DR: 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate (CAS 32648-01-4) is a chemical compound with molecular formula C11H20O5 and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-butanoyloxy-2-hydroxypropyl) butanoate
Also Known As: dibutyrin, 1,3-dibutyrin, Dibutyrylglycerol, alpha-dibutyryn, 1,3-dibutanoylglycerol
| Molecular Formula | C11H20O5 |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 232.13107 |
| Heavy Atoms | 16 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 32648-01-4 |
|---|---|
| SMILES | CCCC(=O)OCC(COC(=O)CCC)O |
| InChIKey | KBWFWZJNPVZRRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate (CAS 32648-01-4), with molecular formula C11H20O5 and molecular weight 232.13 g/mol. IUPAC: (3-butanoyloxy-2-hydroxypropyl) butanoate.
Chemical Property Profile of 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate
Property Insights of 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate. Following Lipinski's Rule of Five, 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate has 1 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 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate?
The CAS number of 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate is 32648-01-4.
What is the molecular formula of 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate?
The molecular formula of 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate is C11H20O5.
What is the molecular weight of 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate?
The molecular weight of 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate is 232.13 g/mol.
Where can I buy 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate?
You can request a quote for 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2-Hydroxy-1,3-propanediyl) dibutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.