2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸
TL;DR: 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 (CAS 76981-44-7) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸
2-[2-methyl-3-(4-methylbenzoyl)phenoxy]acetic acid
Also Known As: 2-(3-(p-Methylbenzoyl)-o-tolyloxy)acetic acid, ACETIC ACID, 2-(3-(p-METHYLBENZOYL)-o-TOLYLOXY)-, 2-[2-methyl-3-(4-methylbenzoyl)phenoxy]acetic acid, 3-(p-Methylbenzoyl)-2-methylphenoxyacetic acid, [2-Methyl-3-(4-methylbenzoyl)phenoxy]acetic acid
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 76981-44-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)OCC(=O)O)C |
| InChIKey | JUCDDJHFMCCIGK-UHFFFAOYSA-N |
Product Overview
2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 (CAS 76981-44-7), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 2-[2-methyl-3-(4-methylbenzoyl)phenoxy]acetic acid.
Chemical Property Profile of 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸
Property Insights of 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸
The XLogP value of 3.6 indicates that 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸. Following Lipinski's Rule of Five, 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 has 1 hydrogen bond donor(s) and 4 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-(对甲基苯甲酰)-邻甲苯氧基)乙酸?
The CAS number of 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 is 76981-44-7.
What is the molecular formula of 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸?
The molecular formula of 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 is C17H16O4.
What is the molecular weight of 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸?
The molecular weight of 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 is 284.10 g/mol.
Where can I buy 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸?
You can request a quote for 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(对甲基苯甲酰)-邻甲苯氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.