2-(2,2-Diethoxyethoxy)toluene
TL;DR: 2-(2,2-Diethoxyethoxy)toluene (CAS 117516-63-9) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-diethoxyethoxy)-2-methylbenzene
Also Known As: 2-(2,2-Diethoxyethoxy)toluene, 1-(2,2-diethoxyethoxy)-2-methylbenzene, o-Tolyloxy-acetaldehyd-diaethylacetal, o-tolyloxy-acetaldehyde diethylacetal, 1-(2,2-diethoxyethoxy)-2-methyl-benzene
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 117516-63-9 |
|---|---|
| SMILES | CCOC(COC1=CC=CC=C1C)OCC |
| InChIKey | WOLBINULTWPZEC-UHFFFAOYSA-N |
Product Overview
2-(2,2-Diethoxyethoxy)toluene (CAS 117516-63-9), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: 1-(2,2-diethoxyethoxy)-2-methylbenzene.
Chemical Property Profile of 2-(2,2-Diethoxyethoxy)toluene
Property Insights of 2-(2,2-Diethoxyethoxy)toluene
The XLogP value of 3.3 indicates that 2-(2,2-Diethoxyethoxy)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2-(2,2-Diethoxyethoxy)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Diethoxyethoxy)toluene has 0 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-(2,2-Diethoxyethoxy)toluene?
The CAS number of 2-(2,2-Diethoxyethoxy)toluene is 117516-63-9.
What is the molecular formula of 2-(2,2-Diethoxyethoxy)toluene?
The molecular formula of 2-(2,2-Diethoxyethoxy)toluene is C13H20O3.
What is the molecular weight of 2-(2,2-Diethoxyethoxy)toluene?
The molecular weight of 2-(2,2-Diethoxyethoxy)toluene is 224.14 g/mol.
Where can I buy 2-(2,2-Diethoxyethoxy)toluene?
You can request a quote for 2-(2,2-Diethoxyethoxy)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Diethoxyethoxy)toluene?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Diethoxyethoxy)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.