p-(Diethoxymethyl)toluene
TL;DR: p-(Diethoxymethyl)toluene (CAS 2403-59-0) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethoxymethyl)-4-methylbenzene
Also Known As: 1-(diethoxymethyl)-4-methylbenzene, p-(Diethoxymethyl)toluene, p-Toluylaldehyd-diaethylacetal, C(OCC)(OCC)c1ccc(C)cc1, 4-Methylbenzaldehyde diethyl acetal
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 2403-59-0 |
|---|---|
| SMILES | CCOC(C1=CC=C(C=C1)C)OCC |
| InChIKey | KCKGLVOPXDIEIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-(Diethoxymethyl)toluene (CAS 2403-59-0), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-(diethoxymethyl)-4-methylbenzene.
Chemical Property Profile of p-(Diethoxymethyl)toluene
Property Insights of p-(Diethoxymethyl)toluene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-(Diethoxymethyl)toluene. With a topological polar surface area (TPSA) of 18.5 Ų, p-(Diethoxymethyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(Diethoxymethyl)toluene has 0 hydrogen bond donor(s) and 2 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 p-(Diethoxymethyl)toluene?
The CAS number of p-(Diethoxymethyl)toluene is 2403-59-0.
What is the molecular formula of p-(Diethoxymethyl)toluene?
The molecular formula of p-(Diethoxymethyl)toluene is C12H18O2.
What is the molecular weight of p-(Diethoxymethyl)toluene?
The molecular weight of p-(Diethoxymethyl)toluene is 194.13 g/mol.
Where can I buy p-(Diethoxymethyl)toluene?
You can request a quote for p-(Diethoxymethyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(Diethoxymethyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for p-(Diethoxymethyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.