4-Bromo-dibenzo-18-crown-6
TL;DR: 4-Bromo-dibenzo-18-crown-6 (CAS 87016-67-9) is a chemical compound with molecular formula C20H23BrO6 and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-bromo-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
Also Known As: 4-Bromo-dibenzo-18-crown-6, 4,4'(5')-DIBROMODIBENZO-18-CROWN-6, 11-Bromo-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene, 2-Bromo-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
| Molecular Formula | C20H23BrO6 |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 3.7113 |
| Topological Polar Surface Area | 55.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 438.0678 |
| Heavy Atoms | 27 |
| Complexity | 708.62134 |
Chemical Identifiers
| CAS Number | 87016-67-9 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)Br)OCCOCCOC3=CC=CC=C3OCCO1 |
Product Overview
4-Bromo-dibenzo-18-crown-6 (CAS 87016-67-9), with molecular formula C20H23BrO6 and molecular weight 438.07 g/mol. IUPAC: 11-bromo-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene.
Chemical Property Profile of 4-Bromo-dibenzo-18-crown-6
Property Insights of 4-Bromo-dibenzo-18-crown-6
The XLogP value of 3.7113 indicates that 4-Bromo-dibenzo-18-crown-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.38 Ų, 4-Bromo-dibenzo-18-crown-6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-dibenzo-18-crown-6 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-Bromo-dibenzo-18-crown-6?
The CAS number of 4-Bromo-dibenzo-18-crown-6 is 87016-67-9.
What is the molecular formula of 4-Bromo-dibenzo-18-crown-6?
The molecular formula of 4-Bromo-dibenzo-18-crown-6 is C20H23BrO6.
What is the molecular weight of 4-Bromo-dibenzo-18-crown-6?
The molecular weight of 4-Bromo-dibenzo-18-crown-6 is 438.07 g/mol.
Where can I buy 4-Bromo-dibenzo-18-crown-6?
You can request a quote for 4-Bromo-dibenzo-18-crown-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-dibenzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-dibenzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.