钙咪唑鎓
TL;DR: 钙咪唑鎓 (CAS 95013-41-5) is a chemical compound with molecular formula C31H23Cl6N2O+ and molecular weight 648.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
钙咪唑鎓
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium
Also Known As: Calmidazolium, Calmidazolium ion, calmidazolium chloride, CALMIDAZOLIUM CATION, Probes1_000251
| Molecular Formula | C31H23Cl6N2O+ |
|---|---|
| Molecular Weight | 648.99 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 18.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 650.9912 |
| Heavy Atoms | 40 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 95013-41-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl |
| InChIKey | CTKNMSVWMRRCPW-UHFFFAOYSA-N |
Product Overview
钙咪唑鎓 (CAS 95013-41-5), with molecular formula C31H23Cl6N2O+ and molecular weight 648.99 g/mol. IUPAC: 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium.
Chemical Property Profile of 钙咪唑鎓
Property Insights of 钙咪唑鎓
The XLogP value of 10.0 indicates that 钙咪唑鎓 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.0 Ų, 钙咪唑鎓 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 钙咪唑鎓 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 钙咪唑鎓?
The CAS number of 钙咪唑鎓 is 95013-41-5.
What is the molecular formula of 钙咪唑鎓?
The molecular formula of 钙咪唑鎓 is C31H23Cl6N2O+.
What is the molecular weight of 钙咪唑鎓?
The molecular weight of 钙咪唑鎓 is 648.99 g/mol.
Where can I buy 钙咪唑鎓?
You can request a quote for 钙咪唑鎓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 钙咪唑鎓?
Yes, KEHONG BIO provides custom synthesis services for 钙咪唑鎓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.