Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester
TL;DR: Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester (CAS 17753-04-7) is a chemical compound with molecular formula C18H20O5 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-(2-methylphenoxy)propyl] 2-phenoxyacetate
Also Known As: Phenoxy acetic acid 2-hydroxy-3-(o-tolyloxy)propyl ester, 2-Hydroxy-3-(2-methylphenoxy)propyl phenoxyacetate, 2-hydroxy-3-(2-methylphenoxy)propyl 2-phenoxyacetate, ACETIC ACID, PHENOXY-, 2-HYDROXY-3-(o-TOLYLOXY)PROPYL ESTER, [2-hydroxy-3-(2-methylphenoxy)propyl] 2-phenoxyacetate
| Molecular Formula | C18H20O5 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 316.13107 |
| Heavy Atoms | 23 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 17753-04-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(COC(=O)COC2=CC=CC=C2)O |
| InChIKey | CXLVKDRAZOBSFD-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester (CAS 17753-04-7), with molecular formula C18H20O5 and molecular weight 316.13 g/mol. IUPAC: [2-hydroxy-3-(2-methylphenoxy)propyl] 2-phenoxyacetate.
Chemical Property Profile of Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester
Property Insights of Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester
The XLogP value of 3.2 indicates that Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester has 1 hydrogen bond donor(s) and 5 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 Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester?
The CAS number of Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester is 17753-04-7.
What is the molecular formula of Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester?
The molecular formula of Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester is C18H20O5.
What is the molecular weight of Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester?
The molecular weight of Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester is 316.13 g/mol.
Where can I buy Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester?
You can request a quote for Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-phenoxy-, 2-hydroxy-3-(2-methylphenoxy)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.