3-Chloroanisole
TL;DR: 3-Chloroanisole (CAS 2845-89-8) is a chemical compound with molecular formula C7H7ClO and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-methoxybenzene
Also Known As: 3-Chloroanisole, 1-CHLORO-3-METHOXYBENZENE, m-Chloroanisole, Benzene, 1-chloro-3-methoxy-, 3-chloroanisol
| Molecular Formula | C7H7ClO |
|---|---|
| Molecular Weight | 142.02 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 | 142.01854 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 2845-89-8 |
|---|---|
| SMILES | COC1=CC(=CC=C1)Cl |
| InChIKey | YUKILTJWFRTXGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroanisole (CAS 2845-89-8), with molecular formula C7H7ClO and molecular weight 142.02 g/mol. IUPAC: 1-chloro-3-methoxybenzene.
Chemical Property Profile of 3-Chloroanisole
Property Insights of 3-Chloroanisole
The XLogP value of 3.0 indicates that 3-Chloroanisole 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-Chloroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroanisole 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-Chloroanisole?
The CAS number of 3-Chloroanisole is 2845-89-8.
What is the molecular formula of 3-Chloroanisole?
The molecular formula of 3-Chloroanisole is C7H7ClO.
What is the molecular weight of 3-Chloroanisole?
The molecular weight of 3-Chloroanisole is 142.02 g/mol.
Where can I buy 3-Chloroanisole?
You can request a quote for 3-Chloroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroanisole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.