Benzalkonium chloriodite
TL;DR: Benzalkonium chloriodite (CAS 102583-76-6) is a chemical compound with molecular formula C22H40Cl2IN and molecular weight 515.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Benzalkonium chloriodite, Benzyldimethyltridecylammonium chloroiodite, AMMONIUM, BENZYLDIMETHYLTRIDECYL-, CHLOROIODITE, RefChem:321233
| Molecular Formula | C22H40Cl2IN |
|---|---|
| Molecular Weight | 515.16 g/mol |
| LogP | 4.96 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Exact Mass | 515.15826 |
| Heavy Atoms | 26 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 102583-76-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl |
| InChIKey | XTSIOKBBSBPDMN-UHFFFAOYSA-N |
Product Overview
Benzalkonium chloriodite (CAS 102583-76-6), with molecular formula C22H40Cl2IN and molecular weight 515.16 g/mol.
Chemical Property Profile of Benzalkonium chloriodite
Property Insights of Benzalkonium chloriodite
The XLogP value of 4.96 indicates that Benzalkonium chloriodite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzalkonium chloriodite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzalkonium chloriodite has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzalkonium chloriodite?
The CAS number of Benzalkonium chloriodite is 102583-76-6.
What is the molecular formula of Benzalkonium chloriodite?
The molecular formula of Benzalkonium chloriodite is C22H40Cl2IN.
What is the molecular weight of Benzalkonium chloriodite?
The molecular weight of Benzalkonium chloriodite is 515.16 g/mol.
Where can I buy Benzalkonium chloriodite?
You can request a quote for Benzalkonium chloriodite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzalkonium chloriodite?
Yes, KEHONG BIO provides custom synthesis services for Benzalkonium chloriodite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.