Toloxychlorinol
TL;DR: Toloxychlorinol (CAS 6055-48-7) is a chemical compound with molecular formula C14H16Cl6O5 and molecular weight 473.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-[3-(2-methylphenoxy)-2-(2,2,2-trichloro-1-hydroxyethoxy)propoxy]ethanol
Also Known As: Toloxychlorinol, Myavan, Toloxichloralum, Toloxiclorinol, Toloxychloral
| Molecular Formula | C14H16Cl6O5 |
|---|---|
| Molecular Weight | 473.91 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.90994 |
| Heavy Atoms | 25 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 6055-48-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O |
| InChIKey | IPVVZYZTTKHXKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toloxychlorinol (CAS 6055-48-7), with molecular formula C14H16Cl6O5 and molecular weight 473.91 g/mol. IUPAC: 2,2,2-trichloro-1-[3-(2-methylphenoxy)-2-(2,2,2-trichloro-1-hydroxyethoxy)propoxy]ethanol.
Chemical Property Profile of Toloxychlorinol
Property Insights of Toloxychlorinol
The XLogP value of 4.7 indicates that Toloxychlorinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Toloxychlorinol. Following Lipinski's Rule of Five, Toloxychlorinol has 2 hydrogen bond donor(s) and 5 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 Toloxychlorinol?
The CAS number of Toloxychlorinol is 6055-48-7.
What is the molecular formula of Toloxychlorinol?
The molecular formula of Toloxychlorinol is C14H16Cl6O5.
What is the molecular weight of Toloxychlorinol?
The molecular weight of Toloxychlorinol is 473.91 g/mol.
Where can I buy Toloxychlorinol?
You can request a quote for Toloxychlorinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toloxychlorinol?
Yes, KEHONG BIO provides custom synthesis services for Toloxychlorinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.