4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide
TL;DR: 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide (CAS 134403-72-8) is a chemical compound with molecular formula C33H36BrO5P and molecular weight 622.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-diphenylphosphanium bromide
Also Known As: 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide, Phosphonium, (2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)diphenyl(phenylmethyl)-, bromide, (2,3,5,6,8,9,11,12-OCTAHYDRO-1,4,7,10,13-BENZOPENTAOXACYCLOPENTADECIN-15-YL)DIPHENYL( PHENYLMETHYL) PHOSPHONIUM BROMIDE, Benzyl(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)di(phenyl)phosphanium bromide, Benzyl(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)diphenylphosphanium bromide
| Molecular Formula | C33H36BrO5P |
|---|---|
| Molecular Weight | 622.15 g/mol |
| LogP | 2.0057 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 622.1484 |
| Heavy Atoms | 40 |
| Complexity | 1234.5413 |
Chemical Identifiers
| CAS Number | 134403-72-8 |
|---|---|
| SMILES | C1COCCOC2=C(C=C(C=C2)[P+](CC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCCOCCO1.[Br-] |
Product Overview
4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide (CAS 134403-72-8), with molecular formula C33H36BrO5P and molecular weight 622.15 g/mol. IUPAC: benzyl-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-diphenylphosphanium bromide.
Chemical Property Profile of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide
Property Insights of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide
The XLogP value of 2.0057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide. With a topological polar surface area (TPSA) of 46.15 Ų, 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide?
The CAS number of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide is 134403-72-8.
What is the molecular formula of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide?
The molecular formula of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide is C33H36BrO5P.
What is the molecular weight of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide?
The molecular weight of 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide is 622.15 g/mol.
Where can I buy 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide?
You can request a quote for 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyldiphenylphosphonio)benzo-15-crown-5 bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.