1-Chloro-4-(2,2-diethoxyethoxy)benzene
TL;DR: 1-Chloro-4-(2,2-diethoxyethoxy)benzene (CAS 41964-04-9) is a chemical compound with molecular formula C12H17ClO3 and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2,2-diethoxyethoxy)benzene
Also Known As: 1-Chloro-4-(2,2-diethoxyethoxy)benzene, 1-chloro-4- benzene, OYHYJHOCOUPQPL-UHFFFAOYSA-, OYHYJHOCOUPQPL-UHFFFAOYSA, 1-Chloro-4-(2,2-diethoxy-ethoxy)-benzene
| Molecular Formula | C12H17ClO3 |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 244.08662 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 41964-04-9 |
|---|---|
| SMILES | CCOC(COC1=CC=C(C=C1)Cl)OCC |
| InChIKey | OYHYJHOCOUPQPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(2,2-diethoxyethoxy)benzene (CAS 41964-04-9), with molecular formula C12H17ClO3 and molecular weight 244.09 g/mol. IUPAC: 1-chloro-4-(2,2-diethoxyethoxy)benzene.
Chemical Property Profile of 1-Chloro-4-(2,2-diethoxyethoxy)benzene
Property Insights of 1-Chloro-4-(2,2-diethoxyethoxy)benzene
The XLogP value of 3.1 indicates that 1-Chloro-4-(2,2-diethoxyethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1-Chloro-4-(2,2-diethoxyethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(2,2-diethoxyethoxy)benzene 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 1-Chloro-4-(2,2-diethoxyethoxy)benzene?
The CAS number of 1-Chloro-4-(2,2-diethoxyethoxy)benzene is 41964-04-9.
What is the molecular formula of 1-Chloro-4-(2,2-diethoxyethoxy)benzene?
The molecular formula of 1-Chloro-4-(2,2-diethoxyethoxy)benzene is C12H17ClO3.
What is the molecular weight of 1-Chloro-4-(2,2-diethoxyethoxy)benzene?
The molecular weight of 1-Chloro-4-(2,2-diethoxyethoxy)benzene is 244.09 g/mol.
Where can I buy 1-Chloro-4-(2,2-diethoxyethoxy)benzene?
You can request a quote for 1-Chloro-4-(2,2-diethoxyethoxy)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-(2,2-diethoxyethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(2,2-diethoxyethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.