1,3,3-Trichlorobutane
TL;DR: 1,3,3-Trichlorobutane (CAS 15187-71-0) is a chemical compound with molecular formula C4H7Cl3 and molecular weight 159.96133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,3-trichlorobutane
Also Known As: 1,3,3-TRICHLOROBUTANE, 3-Trichlor-butan, 1,3,3-trichloro-butane, butane, 1,3,3-trichloro-, 2,2,4-trichloro-butane
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7Cl3 |
| Molecular Weight | 159.96133 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.96133 Da |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
| SMILES | CC(CCCl)(Cl)Cl |
| InChIKey | VHRSGZSWEJBMSI-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,3-Trichlorobutane
Property Insights of 1,3,3-Trichlorobutane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Trichlorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,3-Trichlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trichlorobutane 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 1,3,3-Trichlorobutane?
The CAS number of 1,3,3-Trichlorobutane is 15187-71-0.
What is the molecular formula of 1,3,3-Trichlorobutane?
The molecular formula of 1,3,3-Trichlorobutane is C4H7Cl3.
What is the molecular weight of 1,3,3-Trichlorobutane?
The molecular weight of 1,3,3-Trichlorobutane is 159.96133 g/mol.
Where can I buy 1,3,3-Trichlorobutane?
You can request a quote for 1,3,3-Trichlorobutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,3-Trichlorobutane?
Yes, CoreyChem provides custom synthesis services for 1,3,3-Trichlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.