1-Chloro-3-methyl-2-butene
TL;DR: 1-Chloro-3-methyl-2-butene (CAS 503-60-6) is a chemical compound with molecular formula C5H9Cl and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-methylbut-2-ene
Also Known As: Prenyl chloride, 1-CHLORO-3-METHYL-2-BUTENE, 1-Chloro-3-methylbut-2-ene, Chloropren, prenylchloride
| Molecular Formula | C5H9Cl |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.039276 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| Boiling Point | 109 °C @ 760 MM HG |
| Density | 0.9273 @ 20 °C |
| Solubility | INSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN CHLOROFORM |
| Refractive Index | 1.4485 @ 20 °C |
Chemical Identifiers
| CAS Number | 503-60-6 |
|---|---|
| SMILES | CC(=CCCl)C |
| InChIKey | JKXQKGNGJVZKFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-methyl-2-butene (CAS 503-60-6), with molecular formula C5H9Cl and molecular weight 104.04 g/mol. IUPAC: 1-chloro-3-methylbut-2-ene.
Chemical Property Profile of 1-Chloro-3-methyl-2-butene
Property Insights of 1-Chloro-3-methyl-2-butene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-methyl-2-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-3-methyl-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-methyl-2-butene 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-Chloro-3-methyl-2-butene?
The CAS number of 1-Chloro-3-methyl-2-butene is 503-60-6.
What is the molecular formula of 1-Chloro-3-methyl-2-butene?
The molecular formula of 1-Chloro-3-methyl-2-butene is C5H9Cl.
What is the molecular weight of 1-Chloro-3-methyl-2-butene?
The molecular weight of 1-Chloro-3-methyl-2-butene is 104.04 g/mol.
Where can I buy 1-Chloro-3-methyl-2-butene?
You can request a quote for 1-Chloro-3-methyl-2-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-methyl-2-butene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-methyl-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.