Ditercalinium mesylate
TL;DR: Ditercalinium mesylate (CAS 99465-99-3) is a chemical compound with molecular formula C50H64N6O14S4 and molecular weight 1100.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonate;methanesulfonic acid;10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium
Also Known As: Ditercalinium mesylate, ditercalinium, 7H-Pyrido(4,3-c)carbazolium, 2,2'-((4,4'-bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-methoxy-, dimethanesulfonate, dimethanesulfonate, methanesulfonate;methanesulfonic acid;10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium, methanesulfonate; methanesulfonic acid; 10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium
| Molecular Formula | C50H64N6O14S4 |
|---|---|
| Molecular Weight | 1100.34 g/mol |
| LogP | 5.3092 |
| Topological Polar Surface Area | 321.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 1100.3363 |
| Heavy Atoms | 74 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 99465-99-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
| InChIKey | CPYOAFQSTPVJBA-UHFFFAOYSA-N |
Product Overview
Ditercalinium mesylate (CAS 99465-99-3), with molecular formula C50H64N6O14S4 and molecular weight 1100.34 g/mol. IUPAC: methanesulfonate;methanesulfonic acid;10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium.
Chemical Property Profile of Ditercalinium mesylate
Property Insights of Ditercalinium mesylate
The XLogP value of 5.3092 indicates that Ditercalinium mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 321.0 Ų indicates high polarity, suggesting Ditercalinium mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ditercalinium mesylate has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ditercalinium mesylate?
The CAS number of Ditercalinium mesylate is 99465-99-3.
What is the molecular formula of Ditercalinium mesylate?
The molecular formula of Ditercalinium mesylate is C50H64N6O14S4.
What is the molecular weight of Ditercalinium mesylate?
The molecular weight of Ditercalinium mesylate is 1100.34 g/mol.
Where can I buy Ditercalinium mesylate?
You can request a quote for Ditercalinium mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditercalinium mesylate?
Yes, KEHONG BIO provides custom synthesis services for Ditercalinium mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.