Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl
TL;DR: Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl (CAS 21270-01-9) is a chemical compound with molecular formula C12H16BrClO and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromo-1-butan-2-yloxyethyl)-3-chlorobenzene
Also Known As: alpha-(Bromomethyl)-m-chlorobenzyl sec-butyl ether, 1-[2-bromo-1-(butan-2-yloxy)ethyl]-3-chlorobenzene, 1-(2-Bromo-1-(sec-butoxy)ethyl)-3-chlorobenzene, 1-(2-bromo-1-butan-2-yloxyethyl)-3-chlorobenzene, ETHER, alpha-(BROMOMETHYL)-m-CHLOROBENZYL sec-BUTYL
| Molecular Formula | C12H16BrClO |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.00732 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 21270-01-9 |
|---|---|
| SMILES | CCC(C)OC(CBr)C1=CC(=CC=C1)Cl |
| InChIKey | KMKOFKBXRUWRID-UHFFFAOYSA-N |
Product Overview
Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl (CAS 21270-01-9), with molecular formula C12H16BrClO and molecular weight 290.01 g/mol. IUPAC: 1-(2-bromo-1-butan-2-yloxyethyl)-3-chlorobenzene.
Chemical Property Profile of Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl
Property Insights of Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl
The XLogP value of 4.3 indicates that Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl has 0 hydrogen bond donor(s) and 1 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 Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl?
The CAS number of Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl is 21270-01-9.
What is the molecular formula of Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl?
The molecular formula of Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl is C12H16BrClO.
What is the molecular weight of Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl?
The molecular weight of Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl is 290.01 g/mol.
Where can I buy Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl?
You can request a quote for Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl?
Yes, KEHONG BIO provides custom synthesis services for Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.