4-Chloro-o-anisic acid
TL;DR: 4-Chloro-o-anisic acid (CAS 57479-70-6) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.00838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-methoxybenzoic acid
Also Known As: 4-Chloro-2-methoxybenzoic acid, 4-Chloro-o-anisic acid, 2-methoxy-4-chlorobenzoic acid, 4-chloro-2-methoxy-benzoic acid, 4-chloro-2-methoxybenzoicacid
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.00838 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | COC1=C(C=CC(=C1)Cl)C(=O)O |
| InChIKey | UFEYMXHWIHFRBX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-o-anisic acid
Property Insights of 4-Chloro-o-anisic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-o-anisic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Chloro-o-anisic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-o-anisic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-o-anisic acid?
The CAS number of 4-Chloro-o-anisic acid is 57479-70-6.
What is the molecular formula of 4-Chloro-o-anisic acid?
The molecular formula of 4-Chloro-o-anisic acid is C8H7ClO3.
What is the molecular weight of 4-Chloro-o-anisic acid?
The molecular weight of 4-Chloro-o-anisic acid is 186.00838 g/mol.
Where can I buy 4-Chloro-o-anisic acid?
You can request a quote for 4-Chloro-o-anisic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-o-anisic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.