1-Chloro-4-(diethoxymethyl)benzene
TL;DR: 1-Chloro-4-(diethoxymethyl)benzene (CAS 2403-61-4) is a chemical compound with molecular formula C11H15ClO2 and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(diethoxymethyl)benzene
Also Known As: 4-Chlorobenzaldehyde diethyl acetal, 1-chloro-4-(diethoxymethyl)benzene, Isocarapanaubine, Benzaldehyde, diethyl acetal, C(OCC)(OCC)c1ccc(Cl)cc1
| Molecular Formula | C11H15ClO2 |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.07605 |
| Heavy Atoms | 14 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 2403-61-4 |
|---|---|
| SMILES | CCOC(C1=CC=C(C=C1)Cl)OCC |
| InChIKey | GPLBEXMSGZWIPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(diethoxymethyl)benzene (CAS 2403-61-4), with molecular formula C11H15ClO2 and molecular weight 214.08 g/mol. IUPAC: 1-chloro-4-(diethoxymethyl)benzene.
Chemical Property Profile of 1-Chloro-4-(diethoxymethyl)benzene
Property Insights of 1-Chloro-4-(diethoxymethyl)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(diethoxymethyl)benzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1-Chloro-4-(diethoxymethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(diethoxymethyl)benzene 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-Chloro-4-(diethoxymethyl)benzene?
The CAS number of 1-Chloro-4-(diethoxymethyl)benzene is 2403-61-4.
What is the molecular formula of 1-Chloro-4-(diethoxymethyl)benzene?
The molecular formula of 1-Chloro-4-(diethoxymethyl)benzene is C11H15ClO2.
What is the molecular weight of 1-Chloro-4-(diethoxymethyl)benzene?
The molecular weight of 1-Chloro-4-(diethoxymethyl)benzene is 214.08 g/mol.
Where can I buy 1-Chloro-4-(diethoxymethyl)benzene?
You can request a quote for 1-Chloro-4-(diethoxymethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(diethoxymethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(diethoxymethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.