4-Chlorobut-2-en-1-amine
TL;DR: 4-Chlorobut-2-en-1-amine (CAS 54880-27-2) is a chemical compound with molecular formula C4H8ClN and molecular weight 105.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-en-1-amine
Also Known As: 4-chlorobut-2-en-1-amine, 1-amino-4-chloro-2-butene, cis-1-amino-4-chloro-2-butene, 2-Buten-1-amine, 4-chloro-, (2Z)-, RefChem:292112
| Molecular Formula | C4H8ClN |
|---|---|
| Molecular Weight | 105.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 105.03453 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 54880-27-2 |
|---|---|
| SMILES | C(C=CCCl)N |
| InChIKey | DYUZZXXUVYQTQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobut-2-en-1-amine (CAS 54880-27-2), with molecular formula C4H8ClN and molecular weight 105.03 g/mol. IUPAC: 4-chlorobut-2-en-1-amine.
Chemical Property Profile of 4-Chlorobut-2-en-1-amine
Property Insights of 4-Chlorobut-2-en-1-amine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobut-2-en-1-amine. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Chlorobut-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobut-2-en-1-amine has 1 hydrogen bond donor(s) and 1 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 4-Chlorobut-2-en-1-amine?
The CAS number of 4-Chlorobut-2-en-1-amine is 54880-27-2.
What is the molecular formula of 4-Chlorobut-2-en-1-amine?
The molecular formula of 4-Chlorobut-2-en-1-amine is C4H8ClN.
What is the molecular weight of 4-Chlorobut-2-en-1-amine?
The molecular weight of 4-Chlorobut-2-en-1-amine is 105.03 g/mol.
Where can I buy 4-Chlorobut-2-en-1-amine?
You can request a quote for 4-Chlorobut-2-en-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobut-2-en-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobut-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.