1,2-丁二烯
TL;DR: 1,2-丁二烯 (CAS 590-19-2) is a chemical compound with molecular formula C4H6 and molecular weight 54.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-丁二烯
buta-1,2-diene
Also Known As: 1,2-BUTADIENE, buta-1,2-diene, Methylallene, Allene, methyl-, 1-Methylallene
| Molecular Formula | C4H6 |
|---|---|
| Molecular Weight | 54.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 54.04695 |
| Heavy Atoms | 4 |
| Complexity | 38.0 |
| Melting Point | -136.2 °C |
| Boiling Point | 10.9 °C |
| Density | 0.676 @ 0 °C |
| Solubility | Insol in water; very sol in benzene; miscible in alcohol and ether |
| Vapor Pressure | 1260 mm Hg @ 25 °C |
| Refractive Index | 1.4205 @ 1 °C; |
Chemical Identifiers
| CAS Number | 590-19-2 |
|---|---|
| SMILES | CC=C=C |
| InChIKey | QNRMTGGDHLBXQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-丁二烯 (CAS 590-19-2), with molecular formula C4H6 and molecular weight 54.05 g/mol. IUPAC: buta-1,2-diene.
Chemical Property Profile of 1,2-丁二烯
Property Insights of 1,2-丁二烯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-丁二烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-丁二烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-丁二烯 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 1,2-丁二烯?
The CAS number of 1,2-丁二烯 is 590-19-2.
What is the molecular formula of 1,2-丁二烯?
The molecular formula of 1,2-丁二烯 is C4H6.
What is the molecular weight of 1,2-丁二烯?
The molecular weight of 1,2-丁二烯 is 54.05 g/mol.
Where can I buy 1,2-丁二烯?
You can request a quote for 1,2-丁二烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-丁二烯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-丁二烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.