3-Chloro-1,2-butadiene
TL;DR: 3-Chloro-1,2-butadiene (CAS 34581-41-4) 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.
3-chlorobuta-1,2-diene
Also Known As: 3-chlorobuta-1,2-diene, 3-CHLORO-1,2-BUTADIENE, 1-Chloro-1-methylpropadiene, J1.617.975B
| Molecular Formula | C4H5Cl |
|---|---|
| Molecular Weight | 88.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.00798 |
| Heavy Atoms | 5 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 34581-41-4 |
|---|---|
| SMILES | CC(=C=C)Cl |
| InChIKey | CUJKALJDXJTCJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1,2-butadiene (CAS 34581-41-4), with molecular formula C4H5Cl and molecular weight 88.01 g/mol. IUPAC: 3-chlorobuta-1,2-diene.
Chemical Property Profile of 3-Chloro-1,2-butadiene
Property Insights of 3-Chloro-1,2-butadiene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1,2-butadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloro-1,2-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1,2-butadiene 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 3-Chloro-1,2-butadiene?
The CAS number of 3-Chloro-1,2-butadiene is 34581-41-4.
What is the molecular formula of 3-Chloro-1,2-butadiene?
The molecular formula of 3-Chloro-1,2-butadiene is C4H5Cl.
What is the molecular weight of 3-Chloro-1,2-butadiene?
The molecular weight of 3-Chloro-1,2-butadiene is 88.01 g/mol.
Where can I buy 3-Chloro-1,2-butadiene?
You can request a quote for 3-Chloro-1,2-butadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1,2-butadiene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1,2-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.