異戊二烯
TL;DR: 異戊二烯 (CAS 78-79-5) 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.
異戊二烯
2-methylbuta-1,3-diene
Also Known As: ISOPRENE, Isopentadiene, 2-Methyl-1,3-butadiene, 2-Methylbutadiene, 2-Methylbuta-1,3-diene
| 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 | 1 |
| Exact Mass | 68.0626 |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
| Melting Point | -120.0 °C |
| Boiling Point | 33.9 °C at 760 mmHg |
| Density | 0.681 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | -53.9 °C |
| Vapor Pressure | 400 mmHg at 15.4 °C ; 493 mmHg at 20.0 °C |
| Refractive Index | 1.42160 at 20 °C |
Chemical Identifiers
| CAS Number | 78-79-5 |
|---|---|
| SMILES | CC(=C)C=C |
| InChIKey | RRHGJUQNOFWUDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
異戊二烯 (CAS 78-79-5), with molecular formula C5H8 and molecular weight 68.06 g/mol. IUPAC: 2-methylbuta-1,3-diene.
Chemical Property Profile of 異戊二烯
Property Insights of 異戊二烯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 異戊二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 異戊二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 異戊二烯 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 異戊二烯?
The CAS number of 異戊二烯 is 78-79-5.
What is the molecular formula of 異戊二烯?
The molecular formula of 異戊二烯 is C5H8.
What is the molecular weight of 異戊二烯?
The molecular weight of 異戊二烯 is 68.06 g/mol.
Where can I buy 異戊二烯?
You can request a quote for 異戊二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異戊二烯?
Yes, KEHONG BIO provides custom synthesis services for 異戊二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.