4'-Bromobenzo-18-crown 6-Ether
TL;DR: 4'-Bromobenzo-18-crown 6-Ether (CAS 75460-28-5) is a chemical compound with molecular formula C16H23BrO6 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Also Known As: 4'-Bromobenzo-18-crown 6-Ether, 4-Bromobenzo-18-crown-6, 4'-BROMOBENZO-18-CROWN-6, 18-bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine, 4\'-BroMobenzo-18-crown 6-Ether
| Molecular Formula | C16H23BrO6 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.2867 |
| Topological Polar Surface Area | 55.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 390.0678 |
| Heavy Atoms | 23 |
| Complexity | 442.57867 |
Chemical Identifiers
| CAS Number | 75460-28-5 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1 |
Product Overview
4'-Bromobenzo-18-crown 6-Ether (CAS 75460-28-5), with molecular formula C16H23BrO6 and molecular weight 390.07 g/mol. IUPAC: 20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene.
Chemical Property Profile of 4'-Bromobenzo-18-crown 6-Ether
Property Insights of 4'-Bromobenzo-18-crown 6-Ether
The XLogP value of 2.2867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Bromobenzo-18-crown 6-Ether. With a topological polar surface area (TPSA) of 55.38 Ų, 4'-Bromobenzo-18-crown 6-Ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Bromobenzo-18-crown 6-Ether has 0 hydrogen bond donor(s) and 6 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 4'-Bromobenzo-18-crown 6-Ether?
The CAS number of 4'-Bromobenzo-18-crown 6-Ether is 75460-28-5.
What is the molecular formula of 4'-Bromobenzo-18-crown 6-Ether?
The molecular formula of 4'-Bromobenzo-18-crown 6-Ether is C16H23BrO6.
What is the molecular weight of 4'-Bromobenzo-18-crown 6-Ether?
The molecular weight of 4'-Bromobenzo-18-crown 6-Ether is 390.07 g/mol.
Where can I buy 4'-Bromobenzo-18-crown 6-Ether?
You can request a quote for 4'-Bromobenzo-18-crown 6-Ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Bromobenzo-18-crown 6-Ether?
Yes, KEHONG BIO provides custom synthesis services for 4'-Bromobenzo-18-crown 6-Ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.