2-(Chloromethyl)-1-methoxy-4-methylbenzene
TL;DR: 2-(Chloromethyl)-1-methoxy-4-methylbenzene (CAS 7048-41-1) 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.
2-(chloromethyl)-1-methoxy-4-methylbenzene
Also Known As: 2-(chloromethyl)-1-methoxy-4-methylbenzene, 2-Methoxy-5-methylbenzylchlorid, 2-chloromethyl-4-methyl-anisole, 2-methoxy-5-methyl benzyl chloride, 2-METHOXY-5-METHYLBENZYL CHLORIDE
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.74242 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 245.31808 |
Chemical Identifiers
| CAS Number | 7048-41-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)CCl |
Product Overview
2-(Chloromethyl)-1-methoxy-4-methylbenzene (CAS 7048-41-1), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 2-(chloromethyl)-1-methoxy-4-methylbenzene.
Chemical Property Profile of 2-(Chloromethyl)-1-methoxy-4-methylbenzene
Property Insights of 2-(Chloromethyl)-1-methoxy-4-methylbenzene
The XLogP value of 2.74242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-1-methoxy-4-methylbenzene. With a topological polar surface area (TPSA) of 9.23 Ų, 2-(Chloromethyl)-1-methoxy-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-1-methoxy-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 2-(Chloromethyl)-1-methoxy-4-methylbenzene?
The CAS number of 2-(Chloromethyl)-1-methoxy-4-methylbenzene is 7048-41-1.
What is the molecular formula of 2-(Chloromethyl)-1-methoxy-4-methylbenzene?
The molecular formula of 2-(Chloromethyl)-1-methoxy-4-methylbenzene is C9H11ClO.
What is the molecular weight of 2-(Chloromethyl)-1-methoxy-4-methylbenzene?
The molecular weight of 2-(Chloromethyl)-1-methoxy-4-methylbenzene is 170.05 g/mol.
Where can I buy 2-(Chloromethyl)-1-methoxy-4-methylbenzene?
You can request a quote for 2-(Chloromethyl)-1-methoxy-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-1-methoxy-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-1-methoxy-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.