1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene
TL;DR: 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene (CAS 63217-25-4) is a chemical compound with molecular formula C20H33ClO and molecular weight 324.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobutoxy)-2,4-bis(2-methylbutan-2-yl)benzene
Also Known As: 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene, 1-(4-chlorobutoxy)-2,4-bis(2-methylbutan-2-yl)benzene, Benzene, 1-(4-chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)-, Butane, 1-chloro-4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-, 2,4-bis(2-methylbutan-2-yl)phenyl 4-chlorobutyl ether
| Molecular Formula | C20H33ClO |
|---|---|
| Molecular Weight | 324.22 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 324.222 |
| Heavy Atoms | 22 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 63217-25-4 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCCCl)C(C)(C)CC |
| InChIKey | WQXDZIXHDZKOGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene (CAS 63217-25-4), with molecular formula C20H33ClO and molecular weight 324.22 g/mol. IUPAC: 1-(4-chlorobutoxy)-2,4-bis(2-methylbutan-2-yl)benzene.
Chemical Property Profile of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene
Property Insights of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene
The XLogP value of 7.6 indicates that 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene?
The CAS number of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene is 63217-25-4.
What is the molecular formula of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene?
The molecular formula of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene is C20H33ClO.
What is the molecular weight of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene?
The molecular weight of 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene is 324.22 g/mol.
Where can I buy 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene?
You can request a quote for 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.