Lisium
TL;DR: Lisium (CAS 3697-42-5) is a chemical compound with molecular formula C22H32Cl4N10 and molecular weight 576.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Lisium
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride
Also Known As: Chlorhexidine dihydrochloride, Chlorhexidine HCl, chlorhexidine, Lisium, chlorhexidinedihydrochloride
| Molecular Formula | C22H32Cl4N10 |
|---|---|
| Molecular Weight | 576.16 g/mol |
| LogP | 4.18 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 578.1536 |
| Heavy Atoms | 36 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 3697-42-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.Cl.Cl |
| InChIKey | WJLVQTJZDCGNJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lisium (CAS 3697-42-5), with molecular formula C22H32Cl4N10 and molecular weight 576.16 g/mol. IUPAC: 2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride.
Chemical Property Profile of Lisium
Property Insights of Lisium
The XLogP value of 4.18 indicates that Lisium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting Lisium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lisium has 8 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lisium?
The CAS number of Lisium is 3697-42-5.
What is the molecular formula of Lisium?
The molecular formula of Lisium is C22H32Cl4N10.
What is the molecular weight of Lisium?
The molecular weight of Lisium is 576.16 g/mol.
Where can I buy Lisium?
You can request a quote for Lisium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lisium?
Yes, KEHONG BIO provides custom synthesis services for Lisium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.