Crotyl chloride
TL;DR: Crotyl chloride (CAS 591-97-9) is a chemical compound with molecular formula C4H7Cl and molecular weight 90.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobut-2-ene
Also Known As: Crotyl chloride, 2-Butene, 1-chloro-, 1-Chlorobut-2-ene, Krotylchlorid, 1-CHLORO-2-BUTENE
| Molecular Formula | C4H7Cl |
|---|---|
| Molecular Weight | 90.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.02363 |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
| Vapor Pressure | 69.0 [mmHg] |
Chemical Identifiers
| CAS Number | 591-97-9 |
|---|---|
| SMILES | CC=CCCl |
| InChIKey | YTKRILODNOEEPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crotyl chloride (CAS 591-97-9), with molecular formula C4H7Cl and molecular weight 90.02 g/mol. IUPAC: 1-chlorobut-2-ene.
Chemical Property Profile of Crotyl chloride
Property Insights of Crotyl chloride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotyl chloride. With a topological polar surface area (TPSA) of 0.0 Ų, Crotyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crotyl 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 Crotyl chloride?
The CAS number of Crotyl chloride is 591-97-9.
What is the molecular formula of Crotyl chloride?
The molecular formula of Crotyl chloride is C4H7Cl.
What is the molecular weight of Crotyl chloride?
The molecular weight of Crotyl chloride is 90.02 g/mol.
Where can I buy Crotyl chloride?
You can request a quote for Crotyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Crotyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.