2,4-Dichloro-3-ethylphenol
TL;DR: 2,4-Dichloro-3-ethylphenol (CAS 121518-45-4) is a chemical compound with molecular formula C8H8Cl2O and molecular weight 190.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-3-ethylphenol
Also Known As: 2,4-Dichloro-3-ethylphenol, Phenol, 2,4-dichloro-3-ethyl-, Phenol, 2,4-dichloroethyl-, Benzofuran,chloroethyl-(9CI), Phenol,2,4-dichloroethyl- (9CI)
| Molecular Formula | C8H8Cl2O |
|---|---|
| Molecular Weight | 190.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.99522 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 121518-45-4 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1Cl)O)Cl |
| InChIKey | DEHWRJWKQDWKDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichloro-3-ethylphenol (CAS 121518-45-4), with molecular formula C8H8Cl2O and molecular weight 190.00 g/mol. IUPAC: 2,4-dichloro-3-ethylphenol.
Chemical Property Profile of 2,4-Dichloro-3-ethylphenol
Property Insights of 2,4-Dichloro-3-ethylphenol
The XLogP value of 3.6 indicates that 2,4-Dichloro-3-ethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4-Dichloro-3-ethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-3-ethylphenol has 1 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-Dichloro-3-ethylphenol?
The CAS number of 2,4-Dichloro-3-ethylphenol is 121518-45-4.
What is the molecular formula of 2,4-Dichloro-3-ethylphenol?
The molecular formula of 2,4-Dichloro-3-ethylphenol is C8H8Cl2O.
What is the molecular weight of 2,4-Dichloro-3-ethylphenol?
The molecular weight of 2,4-Dichloro-3-ethylphenol is 190.00 g/mol.
Where can I buy 2,4-Dichloro-3-ethylphenol?
You can request a quote for 2,4-Dichloro-3-ethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-3-ethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-3-ethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.