1,1-Dichloroheptane
TL;DR: 1,1-Dichloroheptane (CAS 821-25-0) is a chemical compound with molecular formula C7H14Cl2 and molecular weight 168.04726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dichloroheptane
Also Known As: 1,1-DICHLOROHEPTANE, Heptane, 1,1-dichloro-, n-hexane-dichloromethane
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14Cl2 |
| Molecular Weight | 168.04726 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.04726 Da |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
| SMILES | CCCCCCC(Cl)Cl |
| InChIKey | MEMYUUBNXYUWRG-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Dichloroheptane
Property Insights of 1,1-Dichloroheptane
The XLogP value of 4.5 indicates that 1,1-Dichloroheptane 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-Dichloroheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloroheptane 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-Dichloroheptane?
The CAS number of 1,1-Dichloroheptane is 821-25-0.
What is the molecular formula of 1,1-Dichloroheptane?
The molecular formula of 1,1-Dichloroheptane is C7H14Cl2.
What is the molecular weight of 1,1-Dichloroheptane?
The molecular weight of 1,1-Dichloroheptane is 168.04726 g/mol.
Where can I buy 1,1-Dichloroheptane?
You can request a quote for 1,1-Dichloroheptane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Dichloroheptane?
Yes, CoreyChem provides custom synthesis services for 1,1-Dichloroheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.