4-Methoxy-3-methylbenzyl chloride
TL;DR: 4-Methoxy-3-methylbenzyl chloride (CAS 60736-71-2) 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.
4-(chloromethyl)-1-methoxy-2-methylbenzene
Also Known As: 4-Methoxy-3-methylbenzyl chloride, 4-(chloromethyl)-1-methoxy-2-methylbenzene, 2-Nitrodiphenyl sulfide, 4-methoxy-3-methylbenzylchloride, 3-methyl-4-methoxybenzylchloride
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 60736-71-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CCl)OC |
| InChIKey | BHEHNICAPZVKRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-3-methylbenzyl chloride (CAS 60736-71-2), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 4-(chloromethyl)-1-methoxy-2-methylbenzene.
Chemical Property Profile of 4-Methoxy-3-methylbenzyl chloride
Property Insights of 4-Methoxy-3-methylbenzyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-methylbenzyl chloride. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Methoxy-3-methylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-3-methylbenzyl chloride 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 4-Methoxy-3-methylbenzyl chloride?
The CAS number of 4-Methoxy-3-methylbenzyl chloride is 60736-71-2.
What is the molecular formula of 4-Methoxy-3-methylbenzyl chloride?
The molecular formula of 4-Methoxy-3-methylbenzyl chloride is C9H11ClO.
What is the molecular weight of 4-Methoxy-3-methylbenzyl chloride?
The molecular weight of 4-Methoxy-3-methylbenzyl chloride is 170.05 g/mol.
Where can I buy 4-Methoxy-3-methylbenzyl chloride?
You can request a quote for 4-Methoxy-3-methylbenzyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-methylbenzyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-methylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.