(2E)-1-Chloro-2-butene
TL;DR: (2E)-1-Chloro-2-butene (CAS 4894-61-5) 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.
(E)-1-chlorobut-2-ene
Also Known As: Crotyl chloride, 1-CHLORO-2-BUTENE, (E)-1-Chlorobut-2-ene, 2-Butenyl chloride, Krotylchlorid
| 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 |
Chemical Identifiers
| CAS Number | 4894-61-5 |
|---|---|
| SMILES | C/C=C/CCl |
| InChIKey | YTKRILODNOEEPX-NSCUHMNNSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-1-Chloro-2-butene (CAS 4894-61-5), with molecular formula C4H7Cl and molecular weight 90.02 g/mol. IUPAC: (E)-1-chlorobut-2-ene.
Chemical Property Profile of (2E)-1-Chloro-2-butene
Property Insights of (2E)-1-Chloro-2-butene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-1-Chloro-2-butene. With a topological polar surface area (TPSA) of 0.0 Ų, (2E)-1-Chloro-2-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-Chloro-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 (2E)-1-Chloro-2-butene?
The CAS number of (2E)-1-Chloro-2-butene is 4894-61-5.
What is the molecular formula of (2E)-1-Chloro-2-butene?
The molecular formula of (2E)-1-Chloro-2-butene is C4H7Cl.
What is the molecular weight of (2E)-1-Chloro-2-butene?
The molecular weight of (2E)-1-Chloro-2-butene is 90.02 g/mol.
Where can I buy (2E)-1-Chloro-2-butene?
You can request a quote for (2E)-1-Chloro-2-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1-Chloro-2-butene?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-Chloro-2-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.