5-Chloro-2-methylanisole
TL;DR: 5-Chloro-2-methylanisole (CAS 41113-86-4) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methoxy-1-methylbenzene
Also Known As: 4-chloro-2-methoxy-1-methylbenzene, 5-CHLORO-2-METHYLANISOLE, 4-Chloro-2-methoxytoluene, 2-Methyl-5-chloroanisole, Anisole, 5-chloro-2-methyl-
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 41113-86-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)OC |
| InChIKey | RFZOGPABZLMDQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-methylanisole (CAS 41113-86-4), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 4-chloro-2-methoxy-1-methylbenzene.
Chemical Property Profile of 5-Chloro-2-methylanisole
Property Insights of 5-Chloro-2-methylanisole
The XLogP value of 3.4 indicates that 5-Chloro-2-methylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 5-Chloro-2-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-methylanisole 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 5-Chloro-2-methylanisole?
The CAS number of 5-Chloro-2-methylanisole is 41113-86-4.
What is the molecular formula of 5-Chloro-2-methylanisole?
The molecular formula of 5-Chloro-2-methylanisole is C8H9ClO.
What is the molecular weight of 5-Chloro-2-methylanisole?
The molecular weight of 5-Chloro-2-methylanisole is 156.03 g/mol.
Where can I buy 5-Chloro-2-methylanisole?
You can request a quote for 5-Chloro-2-methylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.