Butene, chloro-2-methyl-
TL;DR: Butene, chloro-2-methyl- (CAS 68012-28-2) 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.
4-chloro-2-methylbut-1-ene
Also Known As: 4-chloro-2-methylbut-1-ene, Butene, chloro-2-methyl-, 1-Butene, 4-chloro-2-methyl-, 1-chloro-3-methyl-3-butene, 2-Methyl-4-chloro-1-butene
| Molecular Formula | C5H9Cl |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.039276 |
| Heavy Atoms | 6 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 68012-28-2 |
|---|---|
| SMILES | CC(=C)CCCl |
| InChIKey | LGMPVUDVTHHFDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butene, chloro-2-methyl- (CAS 68012-28-2), with molecular formula C5H9Cl and molecular weight 104.04 g/mol. IUPAC: 4-chloro-2-methylbut-1-ene.
Chemical Property Profile of Butene, chloro-2-methyl-
Property Insights of Butene, chloro-2-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butene, chloro-2-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Butene, chloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butene, chloro-2-methyl- 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 Butene, chloro-2-methyl-?
The CAS number of Butene, chloro-2-methyl- is 68012-28-2.
What is the molecular formula of Butene, chloro-2-methyl-?
The molecular formula of Butene, chloro-2-methyl- is C5H9Cl.
What is the molecular weight of Butene, chloro-2-methyl-?
The molecular weight of Butene, chloro-2-methyl- is 104.04 g/mol.
Where can I buy Butene, chloro-2-methyl-?
You can request a quote for Butene, chloro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butene, chloro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butene, chloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.