1-(Bromomethyl)-4-(hexyloxy)benzene
TL;DR: 1-(Bromomethyl)-4-(hexyloxy)benzene (CAS 2417-68-7) is a chemical compound with molecular formula C13H19BrO and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-4-hexoxybenzene
Also Known As: 1-(bromomethyl)-4-hexoxybenzene, 1-(bromomethyl)-4-hexoxy-benzene, 1-(Bromomethyl)-4-(hexyloxy)benzene, 1-(bromomethyl)-4-(hexyloxy)-benzene, InChI=1/C13H19BrO/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9H,2-5,10-11H2,1H
| Molecular Formula | C13H19BrO |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 4.5406 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.06192 |
| Heavy Atoms | 15 |
| Complexity | 255.7434 |
Chemical Identifiers
| CAS Number | 2417-68-7 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)CBr |
Product Overview
1-(Bromomethyl)-4-(hexyloxy)benzene (CAS 2417-68-7), with molecular formula C13H19BrO and molecular weight 270.06 g/mol. IUPAC: 1-(bromomethyl)-4-hexoxybenzene.
Chemical Property Profile of 1-(Bromomethyl)-4-(hexyloxy)benzene
Property Insights of 1-(Bromomethyl)-4-(hexyloxy)benzene
The XLogP value of 4.5406 indicates that 1-(Bromomethyl)-4-(hexyloxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-(Bromomethyl)-4-(hexyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-(hexyloxy)benzene 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 1-(Bromomethyl)-4-(hexyloxy)benzene?
The CAS number of 1-(Bromomethyl)-4-(hexyloxy)benzene is 2417-68-7.
What is the molecular formula of 1-(Bromomethyl)-4-(hexyloxy)benzene?
The molecular formula of 1-(Bromomethyl)-4-(hexyloxy)benzene is C13H19BrO.
What is the molecular weight of 1-(Bromomethyl)-4-(hexyloxy)benzene?
The molecular weight of 1-(Bromomethyl)-4-(hexyloxy)benzene is 270.06 g/mol.
Where can I buy 1-(Bromomethyl)-4-(hexyloxy)benzene?
You can request a quote for 1-(Bromomethyl)-4-(hexyloxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-4-(hexyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-(hexyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.