3-Chloro-2-methyl-1-butene
TL;DR: 3-Chloro-2-methyl-1-butene (CAS 5166-35-8) 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.
3-chloro-2-methylbut-1-ene
Also Known As: 3-CHLORO-2-METHYL-1-BUTENE, 3-chloro-2-methylbut-1-ene, 1-Butene, 3-chloro-2-methyl-, 3-chloro-2-methyl-but-1-ene, 2-methyl-3-chlorobut-1-ene
| 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 | 1 |
| Exact Mass | 104.039276 |
| Heavy Atoms | 6 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 5166-35-8 |
|---|---|
| SMILES | CC(C(=C)C)Cl |
| InChIKey | UCUDJURUNUQAHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-2-methyl-1-butene (CAS 5166-35-8), with molecular formula C5H9Cl and molecular weight 104.04 g/mol. IUPAC: 3-chloro-2-methylbut-1-ene.
Chemical Property Profile of 3-Chloro-2-methyl-1-butene
Property Insights of 3-Chloro-2-methyl-1-butene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methyl-1-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-2-methyl-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methyl-1-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 3-Chloro-2-methyl-1-butene?
The CAS number of 3-Chloro-2-methyl-1-butene is 5166-35-8.
What is the molecular formula of 3-Chloro-2-methyl-1-butene?
The molecular formula of 3-Chloro-2-methyl-1-butene is C5H9Cl.
What is the molecular weight of 3-Chloro-2-methyl-1-butene?
The molecular weight of 3-Chloro-2-methyl-1-butene is 104.04 g/mol.
Where can I buy 3-Chloro-2-methyl-1-butene?
You can request a quote for 3-Chloro-2-methyl-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-methyl-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-methyl-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.