1-(2-Bromo-1-butoxyethyl)-4-octylbenzene
TL;DR: 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene (CAS 21270-08-6) is a chemical compound with molecular formula C20H33BrO and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromo-1-butoxyethyl)-4-octylbenzene
Also Known As: 1-(2-bromo-1-butoxyethyl)-4-octylbenzene, alpha-(Bromomethyl)-p-octylbenzyl butyl ester, ETHER, alpha-(BROMOMETHYL)-p-OCTYLBENZYL BUTYL, [alpha-(Bromomethyl)-p-octylbenzyl]butyl ether, 1-[2-bromo-1-(dodecyloxy)ethyl]-4-(propan-2-yl)benzene
| Molecular Formula | C20H33BrO |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 368.17148 |
| Heavy Atoms | 22 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 21270-08-6 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(CBr)OCCCC |
| InChIKey | YYRCXESEJNIQEI-UHFFFAOYSA-N |
Product Overview
1-(2-Bromo-1-butoxyethyl)-4-octylbenzene (CAS 21270-08-6), with molecular formula C20H33BrO and molecular weight 368.17 g/mol. IUPAC: 1-(2-bromo-1-butoxyethyl)-4-octylbenzene.
Chemical Property Profile of 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene
Property Insights of 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene
The XLogP value of 7.7 indicates that 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene 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-(2-Bromo-1-butoxyethyl)-4-octylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene 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-(2-Bromo-1-butoxyethyl)-4-octylbenzene?
The CAS number of 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene is 21270-08-6.
What is the molecular formula of 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene?
The molecular formula of 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene is C20H33BrO.
What is the molecular weight of 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene?
The molecular weight of 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene is 368.17 g/mol.
Where can I buy 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene?
You can request a quote for 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromo-1-butoxyethyl)-4-octylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.