1,3-戊二烯
TL;DR: 1,3-戊二烯 (CAS 2004-70-8) 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.
1,3-戊二烯
(3E)-penta-1,3-diene
Also Known As: trans-Piperylene, Piperylene, trans-1,3-Pentadiene, 1,3-PENTADIENE, (3E)-penta-1,3-diene
| Molecular Formula | C5H8 |
|---|---|
| Molecular Weight | 68.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 68.0626 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | -141.1 °C |
| Boiling Point | 42.8 °C at 760 mmHg (NFPA, 2010) |
| Density | 0.6834 at 20.0 °C (average value for cis and trans isomers) - Less dense than water; will float |
| Solubility | SOL IN ALL PROP IN ALC, ETHER, ACETONE, BENZENE, HEPTANE, & CARBON TETRACHLORIDE |
| Flash Point | -28.9 °C |
| Vapor Pressure | 405.0 [mmHg] |
| Refractive Index | MAX ABSORPTION (ALCOHOL): 223.5 NM (LOG E= 4.36); 1.4301 @ 20 °C |
Chemical Identifiers
| CAS Number | 2004-70-8 |
|---|---|
| SMILES | C/C=C/C=C |
| InChIKey | PMJHHCWVYXUKFD-SNAWJCMRSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-戊二烯 (CAS 2004-70-8), with molecular formula C5H8 and molecular weight 68.06 g/mol. IUPAC: (3E)-penta-1,3-diene.
Chemical Property Profile of 1,3-戊二烯
Property Insights of 1,3-戊二烯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-戊二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-戊二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-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 1,3-戊二烯?
The CAS number of 1,3-戊二烯 is 2004-70-8.
What is the molecular formula of 1,3-戊二烯?
The molecular formula of 1,3-戊二烯 is C5H8.
What is the molecular weight of 1,3-戊二烯?
The molecular weight of 1,3-戊二烯 is 68.06 g/mol.
Where can I buy 1,3-戊二烯?
You can request a quote for 1,3-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 1,3-戊二烯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-戊二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.