Ditercalinium chloride dihydrochloride
TL;DR: Ditercalinium chloride dihydrochloride (CAS 75413-56-8) is a chemical compound with molecular formula C46H52Cl4N6O2 and molecular weight 860.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methoxy-2-[2-[4-[1-[2-(10-methoxy-11cH-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-4H-pyrido[4,3-c]carbazol-2-ium;dichloride;dihydrochloride
Also Known As: Ditercalinium chloride HCl, Ditercalinium chloride dihydrochloride, ditercalinium chloride, dihydrochloride, 7H-Pyrido(4,3-c)carbazolium, 2,2'-((4,4'-bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-methoxy-, dichloride, dihydrochloride, 2,2'-((4,4'-Bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-methoxy-7H-pyrido(4,3-c)carbazolium chloride) dihydrochloride
| Molecular Formula | C46H52Cl4N6O2 |
|---|---|
| Molecular Weight | 860.29 g/mol |
| LogP | -1.55672 |
| Topological Polar Surface Area | 55.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 860.2906 |
| Heavy Atoms | 58 |
| Complexity | 2570.0815 |
Chemical Identifiers
| CAS Number | 75413-56-8 |
|---|---|
| SMILES | COC1=CC2=C3C4C=[N+](C=CC4=CC=C3N=C2C=C1)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CCC8=CC=C9C(=C1C=C(C=CC1=N9)OC)C8=C7.Cl.Cl.[Cl-].[Cl-] |
Product Overview
Ditercalinium chloride dihydrochloride (CAS 75413-56-8), with molecular formula C46H52Cl4N6O2 and molecular weight 860.29 g/mol. IUPAC: 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-11cH-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-4H-pyrido[4,3-c]carbazol-2-ium;dichloride;dihydrochloride.
Chemical Property Profile of Ditercalinium chloride dihydrochloride
Property Insights of Ditercalinium chloride dihydrochloride
The XLogP value of -1.55672 indicates that Ditercalinium chloride dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.68 Ų, Ditercalinium chloride dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ditercalinium chloride dihydrochloride has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ditercalinium chloride dihydrochloride?
The CAS number of Ditercalinium chloride dihydrochloride is 75413-56-8.
What is the molecular formula of Ditercalinium chloride dihydrochloride?
The molecular formula of Ditercalinium chloride dihydrochloride is C46H52Cl4N6O2.
What is the molecular weight of Ditercalinium chloride dihydrochloride?
The molecular weight of Ditercalinium chloride dihydrochloride is 860.29 g/mol.
Where can I buy Ditercalinium chloride dihydrochloride?
You can request a quote for Ditercalinium chloride dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditercalinium chloride dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ditercalinium chloride dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.