5-(Chloromethyl)-2-methoxybenzoic acid
TL;DR: 5-(Chloromethyl)-2-methoxybenzoic acid (CAS 3671-77-0) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-2-methoxybenzoic acid
Also Known As: 5-(chloromethyl)-2-methoxybenzoic acid, 5-(Chloromethyl)-2-methoxybenzoicacid, Benzoic acid, 5-(chloromethyl)-2-methoxy-, o-Anisic acid, 5-(chloromethyl)-, 2-Methoxy-5-chlormethylbenzoesaeure
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 3671-77-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCl)C(=O)O |
| InChIKey | LXSPNZGYCRQFSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Chloromethyl)-2-methoxybenzoic acid (CAS 3671-77-0), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 5-(chloromethyl)-2-methoxybenzoic acid.
Chemical Property Profile of 5-(Chloromethyl)-2-methoxybenzoic acid
Property Insights of 5-(Chloromethyl)-2-methoxybenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-2-methoxybenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 5-(Chloromethyl)-2-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-2-methoxybenzoic 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
Frequently Asked Questions
What is the CAS number of 5-(Chloromethyl)-2-methoxybenzoic acid?
The CAS number of 5-(Chloromethyl)-2-methoxybenzoic acid is 3671-77-0.
What is the molecular formula of 5-(Chloromethyl)-2-methoxybenzoic acid?
The molecular formula of 5-(Chloromethyl)-2-methoxybenzoic acid is C9H9ClO3.
What is the molecular weight of 5-(Chloromethyl)-2-methoxybenzoic acid?
The molecular weight of 5-(Chloromethyl)-2-methoxybenzoic acid is 200.02 g/mol.
Where can I buy 5-(Chloromethyl)-2-methoxybenzoic acid?
You can request a quote for 5-(Chloromethyl)-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Chloromethyl)-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.