4-Chloro-3,5-dimethylanisole
TL;DR: 4-Chloro-3,5-dimethylanisole (CAS 6267-34-1) 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-chloro-5-methoxy-1,3-dimethylbenzene
Also Known As: 4-CHLORO-3,5-DIMETHYLANISOLE, 2-Chloro-5-methoxy-1,3-dimethylbenzene, 2-Chloro-5-methoxy-m-xylene, Benzene, 2-chloro-5-methoxy-1,3-dimethyl-, Anisole, 4-chloro-, 3,5-dimethyl-
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 6267-34-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC |
| InChIKey | XPKNQQCTKKHCHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3,5-dimethylanisole (CAS 6267-34-1), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 2-chloro-5-methoxy-1,3-dimethylbenzene.
Chemical Property Profile of 4-Chloro-3,5-dimethylanisole
Property Insights of 4-Chloro-3,5-dimethylanisole
The XLogP value of 3.3 indicates that 4-Chloro-3,5-dimethylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Chloro-3,5-dimethylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3,5-dimethylanisole 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-Chloro-3,5-dimethylanisole?
The CAS number of 4-Chloro-3,5-dimethylanisole is 6267-34-1.
What is the molecular formula of 4-Chloro-3,5-dimethylanisole?
The molecular formula of 4-Chloro-3,5-dimethylanisole is C9H11ClO.
What is the molecular weight of 4-Chloro-3,5-dimethylanisole?
The molecular weight of 4-Chloro-3,5-dimethylanisole is 170.05 g/mol.
Where can I buy 4-Chloro-3,5-dimethylanisole?
You can request a quote for 4-Chloro-3,5-dimethylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3,5-dimethylanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3,5-dimethylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.