Penta-1,2-diene
TL;DR: Penta-1,2-diene (CAS 591-95-7) 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.
penta-1,2-diene
Also Known As: 1,2-PENTADIENE, Penta-1,2-diene, Ethylallene, ethyl allenoate, Penta1,2diene
| Molecular Formula | C5H8 |
|---|---|
| Molecular Weight | 68.06 g/mol |
| LogP | 1.5 |
| 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 | 47.0 |
| Vapor Pressure | 368.0 [mmHg] |
Chemical Identifiers
| CAS Number | 591-95-7 |
|---|---|
| SMILES | CCC=C=C |
| InChIKey | LVMTVPFRTKXRPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penta-1,2-diene (CAS 591-95-7), with molecular formula C5H8 and molecular weight 68.06 g/mol. IUPAC: penta-1,2-diene.
Chemical Property Profile of Penta-1,2-diene
Property Insights of Penta-1,2-diene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penta-1,2-diene. With a topological polar surface area (TPSA) of 0.0 Ų, Penta-1,2-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Penta-1,2-diene 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 Penta-1,2-diene?
The CAS number of Penta-1,2-diene is 591-95-7.
What is the molecular formula of Penta-1,2-diene?
The molecular formula of Penta-1,2-diene is C5H8.
What is the molecular weight of Penta-1,2-diene?
The molecular weight of Penta-1,2-diene is 68.06 g/mol.
Where can I buy Penta-1,2-diene?
You can request a quote for Penta-1,2-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penta-1,2-diene?
Yes, KEHONG BIO provides custom synthesis services for Penta-1,2-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.