1,4-戊二烯
TL;DR: 1,4-戊二烯 (CAS 591-93-5) is a chemical compound with molecular formula C5H8 and molecular weight 68.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-戊二烯
penta-1,4-diene
Also Known As: 1,4-PENTADIENE, Penta-1,4-diene, allylethylene, divinylmethane, Pentadiene-1,4
| Molecular Formula | C5H8 |
|---|---|
| Molecular Weight | 68.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 68.0626 |
| Heavy Atoms | 5 |
| Complexity | 29.0 |
| Melting Point | -148.3 °C |
| Boiling Point | 26.0 °C at 760 mmHg |
| Density | 0.6608 at 20.0 °C - Less dense than water; will float |
| Flash Point | 4.4 °C |
Chemical Identifiers
| CAS Number | 591-93-5 |
|---|---|
| SMILES | C=CCC=C |
| InChIKey | QYZLKGVUSQXAMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-戊二烯 (CAS 591-93-5), with molecular formula C5H8 and molecular weight 68.06 g/mol. IUPAC: penta-1,4-diene.
Chemical Property Profile of 1,4-戊二烯
Property Insights of 1,4-戊二烯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-戊二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-戊二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-戊二烯 has 0 hydrogen bond donor(s) and 0 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 1,4-戊二烯?
The CAS number of 1,4-戊二烯 is 591-93-5.
What is the molecular formula of 1,4-戊二烯?
The molecular formula of 1,4-戊二烯 is C5H8.
What is the molecular weight of 1,4-戊二烯?
The molecular weight of 1,4-戊二烯 is 68.06 g/mol.
Where can I buy 1,4-戊二烯?
You can request a quote for 1,4-戊二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-戊二烯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-戊二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.