1,2,3-Trichlorooctane
TL;DR: 1,2,3-Trichlorooctane (CAS 85269-46-1) is a chemical compound with molecular formula C8H15Cl3 and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichlorooctane
Also Known As: 1,2,3-TRICHLOROOCTANE, J1.596.961J
| Molecular Formula | C8H15Cl3 |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.02394 |
| Heavy Atoms | 11 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 85269-46-1 |
|---|---|
| SMILES | CCCCCC(C(CCl)Cl)Cl |
| InChIKey | ADQWLUCCIPZTLX-UHFFFAOYSA-N |
Product Overview
1,2,3-Trichlorooctane (CAS 85269-46-1), with molecular formula C8H15Cl3 and molecular weight 216.02 g/mol. IUPAC: 1,2,3-trichlorooctane.
Chemical Property Profile of 1,2,3-Trichlorooctane
Property Insights of 1,2,3-Trichlorooctane
The XLogP value of 4.5 indicates that 1,2,3-Trichlorooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trichlorooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trichlorooctane 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 1,2,3-Trichlorooctane?
The CAS number of 1,2,3-Trichlorooctane is 85269-46-1.
What is the molecular formula of 1,2,3-Trichlorooctane?
The molecular formula of 1,2,3-Trichlorooctane is C8H15Cl3.
What is the molecular weight of 1,2,3-Trichlorooctane?
The molecular weight of 1,2,3-Trichlorooctane is 216.02 g/mol.
Where can I buy 1,2,3-Trichlorooctane?
You can request a quote for 1,2,3-Trichlorooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trichlorooctane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trichlorooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.