1-(Chloromethyl)-4-Ethoxybenzene
TL;DR: 1-(Chloromethyl)-4-Ethoxybenzene (CAS 6653-80-1) is a chemical compound with molecular formula C9H11ClO and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-4-ethoxybenzene
Also Known As: 1-(Chloromethyl)-4-Ethoxybenzene, 4-ETHOXYBENZYL CHLORIDE, p-chloromethylphenetole, Benzene, 1-(chloromethyl)-4-ethoxy-, 1-(chloromethyl)-4-ethoxy-benzene
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.8241 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 205.30765 |
Chemical Identifiers
| CAS Number | 6653-80-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CCl |
Product Overview
1-(Chloromethyl)-4-Ethoxybenzene (CAS 6653-80-1), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 1-(chloromethyl)-4-ethoxybenzene.
Chemical Property Profile of 1-(Chloromethyl)-4-Ethoxybenzene
Property Insights of 1-(Chloromethyl)-4-Ethoxybenzene
The XLogP value of 2.8241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethyl)-4-Ethoxybenzene. With a topological polar surface area (TPSA) of 9.23 Ų, 1-(Chloromethyl)-4-Ethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-4-Ethoxybenzene 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-(Chloromethyl)-4-Ethoxybenzene?
The CAS number of 1-(Chloromethyl)-4-Ethoxybenzene is 6653-80-1.
What is the molecular formula of 1-(Chloromethyl)-4-Ethoxybenzene?
The molecular formula of 1-(Chloromethyl)-4-Ethoxybenzene is C9H11ClO.
What is the molecular weight of 1-(Chloromethyl)-4-Ethoxybenzene?
The molecular weight of 1-(Chloromethyl)-4-Ethoxybenzene is 170.05 g/mol.
Where can I buy 1-(Chloromethyl)-4-Ethoxybenzene?
You can request a quote for 1-(Chloromethyl)-4-Ethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)-4-Ethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)-4-Ethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.