1,1-Dichlorohexane
TL;DR: 1,1-Dichlorohexane (CAS 36542-63-9) is a chemical compound with molecular formula C6H12Cl2 and molecular weight 154.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichlorohexane
Also Known As: 1,1-dichlorohexane, dichlorohexane, Hexane, dichloro-, Hexane, 1,1-dichloro-, Hexane, 1,1-dichloro
| Molecular Formula | C6H12Cl2 |
|---|---|
| Molecular Weight | 154.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.0316 |
| Heavy Atoms | 8 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 36542-63-9 |
|---|---|
| SMILES | CCCCCC(Cl)Cl |
| InChIKey | RQXXCWHCUOJQGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichlorohexane (CAS 36542-63-9), with molecular formula C6H12Cl2 and molecular weight 154.03 g/mol. IUPAC: 1,1-dichlorohexane.
Chemical Property Profile of 1,1-Dichlorohexane
Property Insights of 1,1-Dichlorohexane
The XLogP value of 3.9 indicates that 1,1-Dichlorohexane 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-Dichlorohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichlorohexane 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
Frequently Asked Questions
What is the CAS number of 1,1-Dichlorohexane?
The CAS number of 1,1-Dichlorohexane is 36542-63-9.
What is the molecular formula of 1,1-Dichlorohexane?
The molecular formula of 1,1-Dichlorohexane is C6H12Cl2.
What is the molecular weight of 1,1-Dichlorohexane?
The molecular weight of 1,1-Dichlorohexane is 154.03 g/mol.
Where can I buy 1,1-Dichlorohexane?
You can request a quote for 1,1-Dichlorohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichlorohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichlorohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.