2,3-Dihydroxypropyl butanoate
TL;DR: 2,3-Dihydroxypropyl butanoate (CAS 557-25-5) is a chemical compound with molecular formula C7H14O4 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl butanoate
Also Known As: Monobutyrin, 1-MONOBUTYRIN, alpha-Monobutyrin, 1-Butyrylglycerol, 2,3-dihydroxypropyl butanoate
| Molecular Formula | C7H14O4 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.0892 |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 557-25-5 |
|---|---|
| SMILES | CCCC(=O)OCC(CO)O |
| InChIKey | RIEABXYBQSLTFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydroxypropyl butanoate (CAS 557-25-5), with molecular formula C7H14O4 and molecular weight 162.09 g/mol. IUPAC: 2,3-dihydroxypropyl butanoate.
Chemical Property Profile of 2,3-Dihydroxypropyl butanoate
Property Insights of 2,3-Dihydroxypropyl butanoate
The XLogP value of -0.2 indicates that 2,3-Dihydroxypropyl butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydroxypropyl butanoate. Following Lipinski's Rule of Five, 2,3-Dihydroxypropyl butanoate has 2 hydrogen bond donor(s) and 4 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 2,3-Dihydroxypropyl butanoate?
The CAS number of 2,3-Dihydroxypropyl butanoate is 557-25-5.
What is the molecular formula of 2,3-Dihydroxypropyl butanoate?
The molecular formula of 2,3-Dihydroxypropyl butanoate is C7H14O4.
What is the molecular weight of 2,3-Dihydroxypropyl butanoate?
The molecular weight of 2,3-Dihydroxypropyl butanoate is 162.09 g/mol.
Where can I buy 2,3-Dihydroxypropyl butanoate?
You can request a quote for 2,3-Dihydroxypropyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxypropyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxypropyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.