2-Hydroxypropyl acetoacetate
TL;DR: 2-Hydroxypropyl acetoacetate (CAS 93776-84-2) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropyl 3-oxobutanoate
Also Known As: 2-Hydroxypropyl acetoacetate, 2-hydroxypropyl 3-oxobutanoate, EINECS 298-011-0, Acetoacetic acid 2-hydroxypropyl ester, 3-Oxobutanoic acid 2-hydroxypropyl ester
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | -0.1105 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 150.51956 |
Chemical Identifiers
| CAS Number | 93776-84-2 |
|---|---|
| SMILES | CC(COC(=O)CC(=O)C)O |
Product Overview
2-Hydroxypropyl acetoacetate (CAS 93776-84-2), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2-hydroxypropyl 3-oxobutanoate.
Chemical Property Profile of 2-Hydroxypropyl acetoacetate
Property Insights of 2-Hydroxypropyl acetoacetate
The XLogP value of -0.1105 indicates that 2-Hydroxypropyl acetoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxypropyl acetoacetate. Following Lipinski's Rule of Five, 2-Hydroxypropyl acetoacetate has 1 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-Hydroxypropyl acetoacetate?
The CAS number of 2-Hydroxypropyl acetoacetate is 93776-84-2.
What is the molecular formula of 2-Hydroxypropyl acetoacetate?
The molecular formula of 2-Hydroxypropyl acetoacetate is C7H12O4.
What is the molecular weight of 2-Hydroxypropyl acetoacetate?
The molecular weight of 2-Hydroxypropyl acetoacetate is 160.07 g/mol.
Where can I buy 2-Hydroxypropyl acetoacetate?
You can request a quote for 2-Hydroxypropyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxypropyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxypropyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.