4-Hydroxy-2-pentenoic acid gamma-lactone
TL;DR: 4-Hydroxy-2-pentenoic acid gamma-lactone (CAS 591-11-7) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2H-furan-5-one
Also Known As: 5-Methyl-2(5H)-furanone, 5-Methylfuran-2(5H)-one, beta-Angelica lactone, Angelica lactone, 2-Penten-4-olide
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 115.0 |
| Melting Point | 18 °C |
| Boiling Point | 208.00 to 210.00 °C. @ 760.00 mm Hg |
| Solubility | 50 mg/mL at 15 °C |
Chemical Identifiers
| CAS Number | 591-11-7 |
|---|---|
| SMILES | CC1C=CC(=O)O1 |
| InChIKey | BGLUXFNVVSVEET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2-pentenoic acid gamma-lactone (CAS 591-11-7), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: 2-methyl-2H-furan-5-one.
Chemical Property Profile of 4-Hydroxy-2-pentenoic acid gamma-lactone
Property Insights of 4-Hydroxy-2-pentenoic acid gamma-lactone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-pentenoic acid gamma-lactone. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Hydroxy-2-pentenoic acid gamma-lactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-pentenoic acid gamma-lactone has 0 hydrogen bond donor(s) and 2 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 4-Hydroxy-2-pentenoic acid gamma-lactone?
The CAS number of 4-Hydroxy-2-pentenoic acid gamma-lactone is 591-11-7.
What is the molecular formula of 4-Hydroxy-2-pentenoic acid gamma-lactone?
The molecular formula of 4-Hydroxy-2-pentenoic acid gamma-lactone is C5H6O2.
What is the molecular weight of 4-Hydroxy-2-pentenoic acid gamma-lactone?
The molecular weight of 4-Hydroxy-2-pentenoic acid gamma-lactone is 98.04 g/mol.
Where can I buy 4-Hydroxy-2-pentenoic acid gamma-lactone?
You can request a quote for 4-Hydroxy-2-pentenoic acid gamma-lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-pentenoic acid gamma-lactone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-pentenoic acid gamma-lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.