1-Buten-3-yne, trichloro-
TL;DR: 1-Buten-3-yne, trichloro- (CAS 139411-90-8) is a chemical compound with molecular formula C4HCl3 and molecular weight 153.91438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,2-trichlorobut-1-en-3-yne
Also Known As: Trichlorobutenyne, 1-Buten-3-yne, trichloro-, trichlorovinylacetylene, 1,1,2-trichlorobut-1-en-3-yne
Technical Specifications
| Molecular Formula | C4HCl3 |
| Molecular Weight | 153.91438 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.91438 Da |
| Heavy Atoms | 7 |
| Complexity | 132.0 |
| SMILES | C#CC(=C(Cl)Cl)Cl |
| InChIKey | COSUXSVFKULTIF-UHFFFAOYSA-N |
Chemical Property Profile of 1-Buten-3-yne, trichloro-
Property Insights of 1-Buten-3-yne, trichloro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Buten-3-yne, trichloro-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Buten-3-yne, trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Buten-3-yne, trichloro- 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 1-Buten-3-yne, trichloro-?
The CAS number of 1-Buten-3-yne, trichloro- is 139411-90-8.
What is the molecular formula of 1-Buten-3-yne, trichloro-?
The molecular formula of 1-Buten-3-yne, trichloro- is C4HCl3.
What is the molecular weight of 1-Buten-3-yne, trichloro-?
The molecular weight of 1-Buten-3-yne, trichloro- is 153.91438 g/mol.
Where can I buy 1-Buten-3-yne, trichloro-?
You can request a quote for 1-Buten-3-yne, trichloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Buten-3-yne, trichloro-?
Yes, CoreyChem provides custom synthesis services for 1-Buten-3-yne, trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.