2-(3,5-Dimethylphenoxy)benzoic acid
TL;DR: 2-(3,5-Dimethylphenoxy)benzoic acid (CAS 76809-63-7) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylphenoxy)benzoic acid
Also Known As: 2-(3,5-dimethylphenoxy)benzoic acid, Benzoic acid,2-(3,5-dimethylphenoxy)-, Benzoic acid, 2-(3,5-dimethylphenoxy)-, 2-(3,5-Dimethylphenoxy)-benZoic acid
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 76809-63-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC2=CC=CC=C2C(=O)O)C |
| InChIKey | BYWBJGZDHWSVPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,5-Dimethylphenoxy)benzoic acid (CAS 76809-63-7), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 2-(3,5-dimethylphenoxy)benzoic acid.
Chemical Property Profile of 2-(3,5-Dimethylphenoxy)benzoic acid
Property Insights of 2-(3,5-Dimethylphenoxy)benzoic acid
The XLogP value of 3.8 indicates that 2-(3,5-Dimethylphenoxy)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-(3,5-Dimethylphenoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dimethylphenoxy)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-(3,5-Dimethylphenoxy)benzoic acid?
The CAS number of 2-(3,5-Dimethylphenoxy)benzoic acid is 76809-63-7.
What is the molecular formula of 2-(3,5-Dimethylphenoxy)benzoic acid?
The molecular formula of 2-(3,5-Dimethylphenoxy)benzoic acid is C15H14O3.
What is the molecular weight of 2-(3,5-Dimethylphenoxy)benzoic acid?
The molecular weight of 2-(3,5-Dimethylphenoxy)benzoic acid is 242.09 g/mol.
Where can I buy 2-(3,5-Dimethylphenoxy)benzoic acid?
You can request a quote for 2-(3,5-Dimethylphenoxy)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-(3,5-Dimethylphenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethylphenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.