1-(Diethoxymethyl)-2-methylbenzene
TL;DR: 1-(Diethoxymethyl)-2-methylbenzene (CAS 6328-87-6) 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)-2-methylbenzene
Also Known As: 1-(diethoxymethyl)-2-methylbenzene, o-tolualdehyde diethyl acetal, 1-Diethoxymethyl-2-methylbenzene, Benzene,1-(diethoxymethyl)-2-methyl-, Benzene, 1-(diethoxymethyl)-2-methyl-
| 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 | 141.0 |
Chemical Identifiers
| CAS Number | 6328-87-6 |
|---|---|
| SMILES | CCOC(C1=CC=CC=C1C)OCC |
| InChIKey | WARCDZGSKKKAMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Diethoxymethyl)-2-methylbenzene (CAS 6328-87-6), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-(diethoxymethyl)-2-methylbenzene.
Chemical Property Profile of 1-(Diethoxymethyl)-2-methylbenzene
Property Insights of 1-(Diethoxymethyl)-2-methylbenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Diethoxymethyl)-2-methylbenzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(Diethoxymethyl)-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Diethoxymethyl)-2-methylbenzene 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 1-(Diethoxymethyl)-2-methylbenzene?
The CAS number of 1-(Diethoxymethyl)-2-methylbenzene is 6328-87-6.
What is the molecular formula of 1-(Diethoxymethyl)-2-methylbenzene?
The molecular formula of 1-(Diethoxymethyl)-2-methylbenzene is C12H18O2.
What is the molecular weight of 1-(Diethoxymethyl)-2-methylbenzene?
The molecular weight of 1-(Diethoxymethyl)-2-methylbenzene is 194.13 g/mol.
Where can I buy 1-(Diethoxymethyl)-2-methylbenzene?
You can request a quote for 1-(Diethoxymethyl)-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethoxymethyl)-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethoxymethyl)-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.