3-Chloro-4-methoxytoluene
TL;DR: 3-Chloro-4-methoxytoluene (CAS 22002-44-4) 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.
2-chloro-1-methoxy-4-methylbenzene
Also Known As: 3-Chloro-4-methoxytoluene, 2-Chloro-1-methoxy-4-methylbenzene, 2-Chloro-4-methylanisole, 6-Mercaptopyrimidin-4-ol, 2-Chloro-4-methylanisole 95%
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 3.0 |
| 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 | 22002-44-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)Cl |
| InChIKey | VUZBRBKYGIQXMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-methoxytoluene (CAS 22002-44-4), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 2-chloro-1-methoxy-4-methylbenzene.
Chemical Property Profile of 3-Chloro-4-methoxytoluene
Property Insights of 3-Chloro-4-methoxytoluene
The XLogP value of 3.0 indicates that 3-Chloro-4-methoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Chloro-4-methoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methoxytoluene 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 3-Chloro-4-methoxytoluene?
The CAS number of 3-Chloro-4-methoxytoluene is 22002-44-4.
What is the molecular formula of 3-Chloro-4-methoxytoluene?
The molecular formula of 3-Chloro-4-methoxytoluene is C8H9ClO.
What is the molecular weight of 3-Chloro-4-methoxytoluene?
The molecular weight of 3-Chloro-4-methoxytoluene is 156.03 g/mol.
Where can I buy 3-Chloro-4-methoxytoluene?
You can request a quote for 3-Chloro-4-methoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.