Calmidazolium
TL;DR: Calmidazolium (CAS 58965-16-5) is a chemical compound with molecular formula C31H24Cl7N2O- and molecular weight 684.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole chloride
Also Known As: Calmidazolium, calmidazolium chloride, R 24571, R-24571, 1h-imidazole, 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2,3-dihydro-, chloride(1:1)
| Molecular Formula | C31H24Cl7N2O- |
|---|---|
| Molecular Weight | 684.97 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 686.9679 |
| Heavy Atoms | 41 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 58965-16-5 |
|---|---|
| SMILES | C1N(C=CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl.[Cl-] |
| InChIKey | COYSNGXBLIDKRR-UHFFFAOYSA-M |
Product Overview
Calmidazolium (CAS 58965-16-5), with molecular formula C31H24Cl7N2O- and molecular weight 684.97 g/mol. IUPAC: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole chloride.
Chemical Property Profile of Calmidazolium
Property Insights of Calmidazolium
The XLogP value of 7.7 indicates that Calmidazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, Calmidazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calmidazolium has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calmidazolium?
The CAS number of Calmidazolium is 58965-16-5.
What is the molecular formula of Calmidazolium?
The molecular formula of Calmidazolium is C31H24Cl7N2O-.
What is the molecular weight of Calmidazolium?
The molecular weight of Calmidazolium is 684.97 g/mol.
Where can I buy Calmidazolium?
You can request a quote for Calmidazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calmidazolium?
Yes, KEHONG BIO provides custom synthesis services for Calmidazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.