1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene
TL;DR: 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene (CAS 70544-46-6) is a chemical compound with molecular formula C32H58O2 and molecular weight 474.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-methylbutan-2-yl)-2,5-dioctoxybenzene
Also Known As: 1,4-Bis(1,1-Dimethylpropyl)-2,5-bis(octyloxy)benzene, 1,4-bis(n-octyloxy)-2,5-di-tert-pentylbenzene, 1,4-bis(2-methylbutan-2-yl)-2,5-bis(octyloxy)benzene, 1,4-bis(2-methylbutan-2-yl)-2,5-dioctoxybenzene, 1,4-BIS -2,5-DI-T-PENTYLBENZENE
| Molecular Formula | C32H58O2 |
|---|---|
| Molecular Weight | 474.44 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 474.4437 |
| Heavy Atoms | 34 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 70544-46-6 |
|---|---|
| SMILES | CCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC)OCCCCCCCC)C(C)(C)CC |
| InChIKey | KXSIYNASVRUUQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene (CAS 70544-46-6), with molecular formula C32H58O2 and molecular weight 474.44 g/mol. IUPAC: 1,4-bis(2-methylbutan-2-yl)-2,5-dioctoxybenzene.
Chemical Property Profile of 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene
Property Insights of 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene
The XLogP value of 13.1 indicates that 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene has 0 hydrogen bond donor(s) and 2 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-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene?
The CAS number of 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene is 70544-46-6.
What is the molecular formula of 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene?
The molecular formula of 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene is C32H58O2.
What is the molecular weight of 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene?
The molecular weight of 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene is 474.44 g/mol.
Where can I buy 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene?
You can request a quote for 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)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-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.