2-Phenyllevulinic acid
TL;DR: 2-Phenyllevulinic acid (CAS 4439-87-6) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-phenylpentanoic acid
Also Known As: 2-phenyllevulinic acid, 4-oxo-2-phenylpentanoic acid, 2-PHENYLLEVULINICACID, alpha-phenylleavulinic acid, NCIOpen2_000073
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 4439-87-6 |
|---|---|
| SMILES | CC(=O)CC(C1=CC=CC=C1)C(=O)O |
| InChIKey | VUGQILCTHFEHDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyllevulinic acid (CAS 4439-87-6), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 4-oxo-2-phenylpentanoic acid.
Chemical Property Profile of 2-Phenyllevulinic acid
Property Insights of 2-Phenyllevulinic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyllevulinic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Phenyllevulinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyllevulinic acid has 1 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 2-Phenyllevulinic acid?
The CAS number of 2-Phenyllevulinic acid is 4439-87-6.
What is the molecular formula of 2-Phenyllevulinic acid?
The molecular formula of 2-Phenyllevulinic acid is C11H12O3.
What is the molecular weight of 2-Phenyllevulinic acid?
The molecular weight of 2-Phenyllevulinic acid is 192.08 g/mol.
Where can I buy 2-Phenyllevulinic acid?
You can request a quote for 2-Phenyllevulinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyllevulinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyllevulinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.