1-Methyl-1-propenyl chloride
TL;DR: 1-Methyl-1-propenyl chloride (CAS 2211-68-9) is a chemical compound with molecular formula CC=C(C)Cl and molecular weight 90.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorobut-2-ene
Also Known As: 2-Chloro-2-butene, 2-Chlorobut-2-ene, chloro-methylpropene, 2-Butene, 2-chloro-, (Z)-2-Chloro-2-butene
| Molecular Formula | CC=C(C)Cl |
|---|---|
| Molecular Weight | 90.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 90.02363 |
| Heavy Atoms | 5 |
| Complexity | 45.0 |
Chemical Identifiers
| CAS Number | 2211-68-9 |
|---|---|
| SMILES | CC=C(C)Cl |
| InChIKey | DSDHFHLZEFQSFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1-propenyl chloride (CAS 2211-68-9), with molecular formula CC=C(C)Cl and molecular weight 90.02 g/mol. IUPAC: 2-chlorobut-2-ene.
Chemical Property Profile of 1-Methyl-1-propenyl chloride
Property Insights of 1-Methyl-1-propenyl chloride
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-propenyl chloride. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-1-propenyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-propenyl chloride 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-Methyl-1-propenyl chloride?
The CAS number of 1-Methyl-1-propenyl chloride is 2211-68-9.
What is the molecular formula of 1-Methyl-1-propenyl chloride?
The molecular formula of 1-Methyl-1-propenyl chloride is CC=C(C)Cl.
What is the molecular weight of 1-Methyl-1-propenyl chloride?
The molecular weight of 1-Methyl-1-propenyl chloride is 90.02 g/mol.
Where can I buy 1-Methyl-1-propenyl chloride?
You can request a quote for 1-Methyl-1-propenyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-propenyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-propenyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.