4-Chlorobuta-1,2-diene
TL;DR: 4-Chlorobuta-1,2-diene (CAS 25790-55-0) is a chemical compound with molecular formula C4H5Cl and molecular weight 88.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobuta-1,2-diene
Also Known As: 4-chlorobuta-1,2-diene, 4-CHLORO-1,2-BUTADIENE, (Chloromethyl)allene, 896-469-1, RefChem:521965
| Molecular Formula | C4H5Cl |
|---|---|
| Molecular Weight | 88.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.00798 |
| Heavy Atoms | 5 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 25790-55-0 |
|---|---|
| SMILES | C=C=CCCl |
| InChIKey | FBSZAHKIQXIJJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobuta-1,2-diene (CAS 25790-55-0), with molecular formula C4H5Cl and molecular weight 88.01 g/mol. IUPAC: 4-chlorobuta-1,2-diene.
Chemical Property Profile of 4-Chlorobuta-1,2-diene
Property Insights of 4-Chlorobuta-1,2-diene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobuta-1,2-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chlorobuta-1,2-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobuta-1,2-diene 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 4-Chlorobuta-1,2-diene?
The CAS number of 4-Chlorobuta-1,2-diene is 25790-55-0.
What is the molecular formula of 4-Chlorobuta-1,2-diene?
The molecular formula of 4-Chlorobuta-1,2-diene is C4H5Cl.
What is the molecular weight of 4-Chlorobuta-1,2-diene?
The molecular weight of 4-Chlorobuta-1,2-diene is 88.01 g/mol.
Where can I buy 4-Chlorobuta-1,2-diene?
You can request a quote for 4-Chlorobuta-1,2-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobuta-1,2-diene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobuta-1,2-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.