Cis-1-chloro-1,3-butadiene
TL;DR: Cis-1-chloro-1,3-butadiene (CAS 100330-18-5) is a chemical compound with molecular formula C4H5Cl and molecular weight 88.00798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1Z)-1-chlorobuta-1,3-diene
Also Known As: 1-Chlorobutadiene, Cis-1-chloro-1,3-butadiene, potassium hydroxide-18O, (Z)-1-Chloro-1,3-butadiene, (1Z)-1-chloro-1,3-butadiene
Technical Specifications
| Molecular Formula | C4H5Cl |
| Molecular Weight | 88.00798 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.00798 Da |
| Heavy Atoms | 5 |
| Complexity | 45.0 |
| SMILES | C=C/C=C\Cl |
| InChIKey | PCPYTNCQOSFKGG-ARJAWSKDSA-N |
Chemical Property Profile of Cis-1-chloro-1,3-butadiene
Property Insights of Cis-1-chloro-1,3-butadiene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cis-1-chloro-1,3-butadiene. With a topological polar surface area (TPSA) of 0.0 Ų, Cis-1-chloro-1,3-butadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cis-1-chloro-1,3-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
What is the CAS number of Cis-1-chloro-1,3-butadiene?
The CAS number of Cis-1-chloro-1,3-butadiene is 100330-18-5.
What is the molecular formula of Cis-1-chloro-1,3-butadiene?
The molecular formula of Cis-1-chloro-1,3-butadiene is C4H5Cl.
What is the molecular weight of Cis-1-chloro-1,3-butadiene?
The molecular weight of Cis-1-chloro-1,3-butadiene is 88.00798 g/mol.
Where can I buy Cis-1-chloro-1,3-butadiene?
You can request a quote for Cis-1-chloro-1,3-butadiene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cis-1-chloro-1,3-butadiene?
Yes, CoreyChem provides custom synthesis services for Cis-1-chloro-1,3-butadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.