4-(Diethoxymethyl)benzaldehyde
TL;DR: 4-(Diethoxymethyl)benzaldehyde (CAS 81172-89-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethoxymethyl)benzaldehyde
Also Known As: 4-(Diethoxymethyl)benzaldehyde, 4- benzaldehyde, 4-diethoxymethylbenzaldehyde, Benzaldehyde, 4-(diethoxymethyl)-, terephthaldehyde monodiethylacetal
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 81172-89-6 |
|---|---|
| SMILES | CCOC(C1=CC=C(C=C1)C=O)OCC |
| InChIKey | HTMXMFARWHNJDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Diethoxymethyl)benzaldehyde (CAS 81172-89-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 4-(diethoxymethyl)benzaldehyde.
Chemical Property Profile of 4-(Diethoxymethyl)benzaldehyde
Property Insights of 4-(Diethoxymethyl)benzaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethoxymethyl)benzaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(Diethoxymethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethoxymethyl)benzaldehyde 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 4-(Diethoxymethyl)benzaldehyde?
The CAS number of 4-(Diethoxymethyl)benzaldehyde is 81172-89-6.
What is the molecular formula of 4-(Diethoxymethyl)benzaldehyde?
The molecular formula of 4-(Diethoxymethyl)benzaldehyde is C12H16O3.
What is the molecular weight of 4-(Diethoxymethyl)benzaldehyde?
The molecular weight of 4-(Diethoxymethyl)benzaldehyde is 208.11 g/mol.
Where can I buy 4-(Diethoxymethyl)benzaldehyde?
You can request a quote for 4-(Diethoxymethyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethoxymethyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethoxymethyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.