4-Chlorobenzaldehyde dimethyl acetal
TL;DR: 4-Chlorobenzaldehyde dimethyl acetal (CAS 3395-81-1) is a chemical compound with molecular formula C9H11ClO2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(dimethoxymethyl)benzene
Also Known As: 1-chloro-4-(dimethoxymethyl)benzene, 4-Chlorobenzaldehyde dimethyl acetal, Nintedanib Impurity 39, Baclofen Impurity 33, 1-Chloro-4-dimethoxymethylbenzene
| Molecular Formula | C9H11ClO2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.04475 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 3395-81-1 |
|---|---|
| SMILES | COC(C1=CC=C(C=C1)Cl)OC |
| InChIKey | YRNBYTFFWMWTGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzaldehyde dimethyl acetal (CAS 3395-81-1), with molecular formula C9H11ClO2 and molecular weight 186.04 g/mol. IUPAC: 1-chloro-4-(dimethoxymethyl)benzene.
Chemical Property Profile of 4-Chlorobenzaldehyde dimethyl acetal
Property Insights of 4-Chlorobenzaldehyde dimethyl acetal
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzaldehyde dimethyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Chlorobenzaldehyde dimethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzaldehyde dimethyl acetal 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 4-Chlorobenzaldehyde dimethyl acetal?
The CAS number of 4-Chlorobenzaldehyde dimethyl acetal is 3395-81-1.
What is the molecular formula of 4-Chlorobenzaldehyde dimethyl acetal?
The molecular formula of 4-Chlorobenzaldehyde dimethyl acetal is C9H11ClO2.
What is the molecular weight of 4-Chlorobenzaldehyde dimethyl acetal?
The molecular weight of 4-Chlorobenzaldehyde dimethyl acetal is 186.04 g/mol.
Where can I buy 4-Chlorobenzaldehyde dimethyl acetal?
You can request a quote for 4-Chlorobenzaldehyde dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzaldehyde dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzaldehyde dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.