1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene
TL;DR: 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene (CAS 61996-31-4) is a chemical compound with molecular formula C10H12Cl2O and molecular weight 218.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethoxy)-2-(chloromethyl)-4-methylbenzene
Also Known As: KST-1B6301, 1-(2-chloroethoxy)-2-(chloromethyl)-4-methylbenzene, (2-chloro-ethyl)-(2-chloromethyl-4-methyl-phenyl)-ether, Benzene,1-(2-chloroethoxy)-2-(chloromethyl)-4-methyl-, (2-Chlor-aethyl)-(2-chlormethyl-4-methyl-phenyl)-aether
| Molecular Formula | C10H12Cl2O |
|---|---|
| Molecular Weight | 218.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.02652 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 61996-31-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCCCl)CCl |
| InChIKey | WOPWBSQWQNEPHL-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene (CAS 61996-31-4), with molecular formula C10H12Cl2O and molecular weight 218.03 g/mol. IUPAC: 1-(2-chloroethoxy)-2-(chloromethyl)-4-methylbenzene.
Chemical Property Profile of 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene
Property Insights of 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene
The XLogP value of 3.2 indicates that 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene 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 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene?
The CAS number of 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene is 61996-31-4.
What is the molecular formula of 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene?
The molecular formula of 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene is C10H12Cl2O.
What is the molecular weight of 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene?
The molecular weight of 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene is 218.03 g/mol.
Where can I buy 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene?
You can request a quote for 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethoxy)-2-(chloromethyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.