2,4,5-Trichlorophenetole
TL;DR: 2,4,5-Trichlorophenetole (CAS 6851-44-1) is a chemical compound with molecular formula C8H7Cl3O and molecular weight 223.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-5-ethoxybenzene
Also Known As: 2,4,5-Trichlorophenetole, Phenetole, 2,4,5-trichloro-, 1,2,4-Trichloro-5-ethoxybenzene, 2,4,6-Trichlorophenetole, Benzene, 1,2,4-trichloro-5-ethoxy-
| Molecular Formula | C8H7Cl3O |
|---|---|
| Molecular Weight | 223.96 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.95625 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 6851-44-1 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | XMLUZDBYNTZUSI-UHFFFAOYSA-N |
Product Overview
2,4,5-Trichlorophenetole (CAS 6851-44-1), with molecular formula C8H7Cl3O and molecular weight 223.96 g/mol. IUPAC: 1,2,4-trichloro-5-ethoxybenzene.
Chemical Property Profile of 2,4,5-Trichlorophenetole
Property Insights of 2,4,5-Trichlorophenetole
The XLogP value of 4.1 indicates that 2,4,5-Trichlorophenetole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,4,5-Trichlorophenetole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenetole has 0 hydrogen bond donor(s) and 1 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 2,4,5-Trichlorophenetole?
The CAS number of 2,4,5-Trichlorophenetole is 6851-44-1.
What is the molecular formula of 2,4,5-Trichlorophenetole?
The molecular formula of 2,4,5-Trichlorophenetole is C8H7Cl3O.
What is the molecular weight of 2,4,5-Trichlorophenetole?
The molecular weight of 2,4,5-Trichlorophenetole is 223.96 g/mol.
Where can I buy 2,4,5-Trichlorophenetole?
You can request a quote for 2,4,5-Trichlorophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichlorophenetole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.