1-Phenylethyl 2-acetylacetoacetate
TL;DR: 1-Phenylethyl 2-acetylacetoacetate (CAS 85153-66-8) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethyl 2-acetyl-3-oxobutanoate
Also Known As: 1-Phenylethyl 2-acetylacetoacetate, 1-phenylethyl 2-acetyl-3-oxobutanoate, EINECS 285-849-7, 6-amino-5-bromo-pyridine-3-carbaldehyde, 2-Acetyl-3-oxobutanoic acid 1-phenylethyl ester
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.085 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 436.1216 |
Chemical Identifiers
| CAS Number | 85153-66-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(=O)C(C(=O)C)C(=O)C |
Product Overview
1-Phenylethyl 2-acetylacetoacetate (CAS 85153-66-8), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 1-phenylethyl 2-acetyl-3-oxobutanoate.
Chemical Property Profile of 1-Phenylethyl 2-acetylacetoacetate
Property Insights of 1-Phenylethyl 2-acetylacetoacetate
The XLogP value of 2.085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylethyl 2-acetylacetoacetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylethyl 2-acetylacetoacetate. Following Lipinski's Rule of Five, 1-Phenylethyl 2-acetylacetoacetate has 0 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 1-Phenylethyl 2-acetylacetoacetate?
The CAS number of 1-Phenylethyl 2-acetylacetoacetate is 85153-66-8.
What is the molecular formula of 1-Phenylethyl 2-acetylacetoacetate?
The molecular formula of 1-Phenylethyl 2-acetylacetoacetate is C14H16O4.
What is the molecular weight of 1-Phenylethyl 2-acetylacetoacetate?
The molecular weight of 1-Phenylethyl 2-acetylacetoacetate is 248.10 g/mol.
Where can I buy 1-Phenylethyl 2-acetylacetoacetate?
You can request a quote for 1-Phenylethyl 2-acetylacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl 2-acetylacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl 2-acetylacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.