1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide
TL;DR: 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide (CAS 85684-46-4) is a chemical compound with molecular formula C27H34BrN2P and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide
Also Known As: 1,3-Dibenzyl-5-phenyl-5-n-butyl-1,3,5-diazaphosphorinanium bromide, 1,3-Bis(phenylmethyl)-5-butyl-5-phenyl-1,3,5-diazaphosphorinium bromide, 1,3,5-Diazaphosphorinium, 1,3-bis(phenylmethyl)-5-butyl-5-phenyl-, bromide, 1,3-dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide, RefChem:1052797
| Molecular Formula | C27H34BrN2P |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 3.0241 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.1643 |
| Heavy Atoms | 31 |
| Complexity | 839.38446 |
Chemical Identifiers
| CAS Number | 85684-46-4 |
|---|---|
| SMILES | CCCC[P+]1(CN(CN(C1)CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
Product Overview
1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide (CAS 85684-46-4), with molecular formula C27H34BrN2P and molecular weight 496.16 g/mol. IUPAC: 1,3-dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide.
Chemical Property Profile of 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide
Property Insights of 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide
The XLogP value of 3.0241 indicates that 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide has 0 hydrogen bond donor(s) and 2 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 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide?
The CAS number of 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide is 85684-46-4.
What is the molecular formula of 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide?
The molecular formula of 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide is C27H34BrN2P.
What is the molecular weight of 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide?
The molecular weight of 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide is 496.16 g/mol.
Where can I buy 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide?
You can request a quote for 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibenzyl-5-butyl-5-phenyl-1,3,5-diazaphosphinan-5-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.