1-Butyne, 1,4,4-trichloro-
TL;DR: 1-Butyne, 1,4,4-trichloro- (CAS 83682-46-6) is a chemical compound with molecular formula C4H3Cl3 and molecular weight 155.93004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,4-trichlorobuta-1,3-diene
Also Known As: 1-Butyne, 1,4,4-trichloro-, (3E)-1,1,4-trichlorobuta-1,3-diene
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H3Cl3 |
| Molecular Weight | 155.93004 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.93004 Da |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
| SMILES | C(=CCl)C=C(Cl)Cl |
| InChIKey | PUFQCNYOVQTFSS-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyne, 1,4,4-trichloro-
Property Insights of 1-Butyne, 1,4,4-trichloro-
The XLogP value of 3.2 indicates that 1-Butyne, 1,4,4-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butyne, 1,4,4-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyne, 1,4,4-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-Butyne, 1,4,4-trichloro-?
The CAS number of 1-Butyne, 1,4,4-trichloro- is 83682-46-6.
What is the molecular formula of 1-Butyne, 1,4,4-trichloro-?
The molecular formula of 1-Butyne, 1,4,4-trichloro- is C4H3Cl3.
What is the molecular weight of 1-Butyne, 1,4,4-trichloro-?
The molecular weight of 1-Butyne, 1,4,4-trichloro- is 155.93004 g/mol.
Where can I buy 1-Butyne, 1,4,4-trichloro-?
You can request a quote for 1-Butyne, 1,4,4-trichloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyne, 1,4,4-trichloro-?
Yes, CoreyChem provides custom synthesis services for 1-Butyne, 1,4,4-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.