4-Pentenoic acid
TL;DR: 4-Pentenoic acid (CAS 591-80-0) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-4-enoic acid
Also Known As: Pent-4-enoic acid, 4-PENTENOIC ACID, Allylacetic acid, Allyl acetic acid, 3-Vinylpropionic acid
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
| Melting Point | -22.5 °C |
| Density | 0.970-0.990 (20°) |
| Solubility | slightly soluble in water; soluble in alcohol and ether |
| Refractive Index | 1.425-1.431 |
Chemical Identifiers
| CAS Number | 591-80-0 |
|---|---|
| SMILES | C=CCCC(=O)O |
| InChIKey | HVAMZGADVCBITI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenoic acid (CAS 591-80-0), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: pent-4-enoic acid.
Chemical Property Profile of 4-Pentenoic acid
Property Insights of 4-Pentenoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid has 1 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-Pentenoic acid?
The CAS number of 4-Pentenoic acid is 591-80-0.
What is the molecular formula of 4-Pentenoic acid?
The molecular formula of 4-Pentenoic acid is C5H8O2.
What is the molecular weight of 4-Pentenoic acid?
The molecular weight of 4-Pentenoic acid is 100.05 g/mol.
Where can I buy 4-Pentenoic acid?
You can request a quote for 4-Pentenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.