1,1,1,3-Tetrachloroheptane
TL;DR: 1,1,1,3-Tetrachloroheptane (CAS 1553-56-6) is a chemical compound with molecular formula C7H12Cl4 and molecular weight 235.96931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,3-tetrachloroheptane
Also Known As: 1,1,1,3-Tetrachloroheptane, Heptane,1,1,1,3-tetrachloro-, Heptane, 1,1,1,3-tetrachloro-, Heptane,1,1,1,3-tetrachloro, 1,1,1,3-Tetrachloroheptane #
Technical Specifications
| Molecular Formula | C7H12Cl4 |
| Molecular Weight | 235.96931 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.96931 Da |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
| SMILES | CCCCC(CC(Cl)(Cl)Cl)Cl |
| InChIKey | IGQSAOBUXLPLOL-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1,3-Tetrachloroheptane
Property Insights of 1,1,1,3-Tetrachloroheptane
The XLogP value of 4.9 indicates that 1,1,1,3-Tetrachloroheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,3-Tetrachloroheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3-Tetrachloroheptane 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 1,1,1,3-Tetrachloroheptane?
The CAS number of 1,1,1,3-Tetrachloroheptane is 1553-56-6.
What is the molecular formula of 1,1,1,3-Tetrachloroheptane?
The molecular formula of 1,1,1,3-Tetrachloroheptane is C7H12Cl4.
What is the molecular weight of 1,1,1,3-Tetrachloroheptane?
The molecular weight of 1,1,1,3-Tetrachloroheptane is 235.96931 g/mol.
Where can I buy 1,1,1,3-Tetrachloroheptane?
You can request a quote for 1,1,1,3-Tetrachloroheptane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1,3-Tetrachloroheptane?
Yes, CoreyChem provides custom synthesis services for 1,1,1,3-Tetrachloroheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.