a-Phenylacetylbutyrolactone
TL;DR: a-Phenylacetylbutyrolactone (CAS 34604-99-4) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylacetyl)oxolan-2-one
Also Known As: a-phenylacetylbutyrolactone, 3-(2-phenylacetyl)oxolan-2-one, 3-(phenylacetyl)dihydro-2(3H)-furanone, 3-(2-phenylacetyl)-4,5-dihydrofuran-2(3H)-one
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.3613 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 369.71344 |
Chemical Identifiers
| CAS Number | 34604-99-4 |
|---|---|
| SMILES | C1COC(=O)C1C(=O)CC2=CC=CC=C2 |
Product Overview
a-Phenylacetylbutyrolactone (CAS 34604-99-4), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3-(2-phenylacetyl)oxolan-2-one.
Chemical Property Profile of a-Phenylacetylbutyrolactone
Property Insights of a-Phenylacetylbutyrolactone
The XLogP value of 1.3613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for a-Phenylacetylbutyrolactone. With a topological polar surface area (TPSA) of 43.37 Ų, a-Phenylacetylbutyrolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, a-Phenylacetylbutyrolactone has 0 hydrogen bond donor(s) and 3 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 a-Phenylacetylbutyrolactone?
The CAS number of a-Phenylacetylbutyrolactone is 34604-99-4.
What is the molecular formula of a-Phenylacetylbutyrolactone?
The molecular formula of a-Phenylacetylbutyrolactone is C12H12O3.
What is the molecular weight of a-Phenylacetylbutyrolactone?
The molecular weight of a-Phenylacetylbutyrolactone is 204.08 g/mol.
Where can I buy a-Phenylacetylbutyrolactone?
You can request a quote for a-Phenylacetylbutyrolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for a-Phenylacetylbutyrolactone?
Yes, KEHONG BIO provides custom synthesis services for a-Phenylacetylbutyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.