1-Chloro-1,2,3-butanetriene
TL;DR: 1-Chloro-1,2,3-butanetriene (CAS 20658-21-3) is a chemical compound with molecular formula C4H3Cl and molecular weight 85.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobuta-1,2,3-triene
Also Known As: Chlorobutatriene, Butatriene, chloro-, 1-Chlorobutatriene, 1-Chloro-1,2,3-butanetriene, vinylidene vinyl chloride
| Molecular Formula | C4H3Cl |
|---|---|
| Molecular Weight | 85.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.992325 |
| Heavy Atoms | 5 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 20658-21-3 |
|---|---|
| SMILES | C=C=C=CCl |
| InChIKey | MBTNHEHUPBFNRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1,2,3-butanetriene (CAS 20658-21-3), with molecular formula C4H3Cl and molecular weight 85.99 g/mol. IUPAC: 1-chlorobuta-1,2,3-triene.
Chemical Property Profile of 1-Chloro-1,2,3-butanetriene
Property Insights of 1-Chloro-1,2,3-butanetriene
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,2,3-butanetriene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-1,2,3-butanetriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1,2,3-butanetriene 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-Chloro-1,2,3-butanetriene?
The CAS number of 1-Chloro-1,2,3-butanetriene is 20658-21-3.
What is the molecular formula of 1-Chloro-1,2,3-butanetriene?
The molecular formula of 1-Chloro-1,2,3-butanetriene is C4H3Cl.
What is the molecular weight of 1-Chloro-1,2,3-butanetriene?
The molecular weight of 1-Chloro-1,2,3-butanetriene is 85.99 g/mol.
Where can I buy 1-Chloro-1,2,3-butanetriene?
You can request a quote for 1-Chloro-1,2,3-butanetriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,2,3-butanetriene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,2,3-butanetriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.