2-(2-Oxopropyl)phenoxyacetic acid
TL;DR: 2-(2-Oxopropyl)phenoxyacetic acid (CAS 412962-61-9) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-oxopropyl)phenoxy]acetic acid
Also Known As: 2-(2-oxopropyl)phenoxyacetic acid, CBKinase1_000485, CBKinase1_012885, [2-(2-oxopropyl)phenoxy]acetic acid, 2-[2-(2-oxopropyl)phenoxy]acetic acid
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 412962-61-9 |
|---|---|
| SMILES | CC(=O)CC1=CC=CC=C1OCC(=O)O |
| InChIKey | JNEYTRRUROUDSN-UHFFFAOYSA-N |
Product Overview
2-(2-Oxopropyl)phenoxyacetic acid (CAS 412962-61-9), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2-[2-(2-oxopropyl)phenoxy]acetic acid.
Chemical Property Profile of 2-(2-Oxopropyl)phenoxyacetic acid
Property Insights of 2-(2-Oxopropyl)phenoxyacetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Oxopropyl)phenoxyacetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Oxopropyl)phenoxyacetic acid. Following Lipinski's Rule of Five, 2-(2-Oxopropyl)phenoxyacetic acid 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-(2-Oxopropyl)phenoxyacetic acid?
The CAS number of 2-(2-Oxopropyl)phenoxyacetic acid is 412962-61-9.
What is the molecular formula of 2-(2-Oxopropyl)phenoxyacetic acid?
The molecular formula of 2-(2-Oxopropyl)phenoxyacetic acid is C11H12O4.
What is the molecular weight of 2-(2-Oxopropyl)phenoxyacetic acid?
The molecular weight of 2-(2-Oxopropyl)phenoxyacetic acid is 208.07 g/mol.
Where can I buy 2-(2-Oxopropyl)phenoxyacetic acid?
You can request a quote for 2-(2-Oxopropyl)phenoxyacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Oxopropyl)phenoxyacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Oxopropyl)phenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.