2-(4-Methylphenoxy)benzoic acid
TL;DR: 2-(4-Methylphenoxy)benzoic acid (CAS 21905-69-1) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenoxy)benzoic acid
Also Known As: 2-(4-Methylphenoxy)benzoic acid, o-(p-Tolyloxy)benzoic Acid, 2-(p-Tolyloxy)benzoic acid, 2- BENZOICACID, p-Tolylaethersalicylsaeure
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 21905-69-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O |
| InChIKey | GRUODACYFFPYCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylphenoxy)benzoic acid (CAS 21905-69-1), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 2-(4-methylphenoxy)benzoic acid.
Chemical Property Profile of 2-(4-Methylphenoxy)benzoic acid
Property Insights of 2-(4-Methylphenoxy)benzoic acid
The XLogP value of 3.5 indicates that 2-(4-Methylphenoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(4-Methylphenoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenoxy)benzoic 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 2-(4-Methylphenoxy)benzoic acid?
The CAS number of 2-(4-Methylphenoxy)benzoic acid is 21905-69-1.
What is the molecular formula of 2-(4-Methylphenoxy)benzoic acid?
The molecular formula of 2-(4-Methylphenoxy)benzoic acid is C14H12O3.
What is the molecular weight of 2-(4-Methylphenoxy)benzoic acid?
The molecular weight of 2-(4-Methylphenoxy)benzoic acid is 228.08 g/mol.
Where can I buy 2-(4-Methylphenoxy)benzoic acid?
You can request a quote for 2-(4-Methylphenoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.