4-Pentenal
TL;DR: 4-Pentenal (CAS 2100-17-6) is a chemical compound with molecular formula C5H8O and molecular weight 84.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-4-enal
Also Known As: pent-4-enal, 4-penten-1-al, Pent-4-en-1-al, 4-PENT-4-ENAL, 4-PENTENAL [FHFI]
| Molecular Formula | C5H8O |
|---|---|
| Molecular Weight | 84.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 84.05752 |
| Heavy Atoms | 6 |
| Complexity | 47.0 |
| Density | 0.853-0.857 |
| Solubility | Slightly soluble in water; soluble in pentane and diethyl ether |
| Refractive Index | 1.413-1.418 |
Chemical Identifiers
| CAS Number | 2100-17-6 |
|---|---|
| SMILES | C=CCCC=O |
| InChIKey | QUMSUJWRUHPEEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenal (CAS 2100-17-6), with molecular formula C5H8O and molecular weight 84.06 g/mol. IUPAC: pent-4-enal.
Chemical Property Profile of 4-Pentenal
Property Insights of 4-Pentenal
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenal. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Pentenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenal has 0 hydrogen bond donor(s) and 1 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-Pentenal?
The CAS number of 4-Pentenal is 2100-17-6.
What is the molecular formula of 4-Pentenal?
The molecular formula of 4-Pentenal is C5H8O.
What is the molecular weight of 4-Pentenal?
The molecular weight of 4-Pentenal is 84.06 g/mol.
Where can I buy 4-Pentenal?
You can request a quote for 4-Pentenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenal?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.