Pentolinium Tartrate
TL;DR: Pentolinium Tartrate (CAS 52-62-0) is a chemical compound with molecular formula C23H42N2O12 and molecular weight 538.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium;bis((2R,3R)-2,3,4-trihydroxy-4-oxobutanoate)
Also Known As: PENTOLINIUM TARTRATE, Ansolysen, Tensilest, Recuryl, Pendine
| Molecular Formula | C23H42N2O12 |
|---|---|
| Molecular Weight | 538.27 g/mol |
| LogP | -4.28 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.2738 |
| Heavy Atoms | 37 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 52-62-0 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O |
| InChIKey | HSMKTIKKPMTUQH-WBPXWQEISA-L |
Product Overview
Pentolinium Tartrate (CAS 52-62-0), with molecular formula C23H42N2O12 and molecular weight 538.27 g/mol. IUPAC: 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium;bis((2R,3R)-2,3,4-trihydroxy-4-oxobutanoate).
Chemical Property Profile of Pentolinium Tartrate
Property Insights of Pentolinium Tartrate
The XLogP value of -4.28 indicates that Pentolinium Tartrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting Pentolinium Tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentolinium Tartrate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentolinium Tartrate?
The CAS number of Pentolinium Tartrate is 52-62-0.
What is the molecular formula of Pentolinium Tartrate?
The molecular formula of Pentolinium Tartrate is C23H42N2O12.
What is the molecular weight of Pentolinium Tartrate?
The molecular weight of Pentolinium Tartrate is 538.27 g/mol.
Where can I buy Pentolinium Tartrate?
You can request a quote for Pentolinium Tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentolinium Tartrate?
Yes, KEHONG BIO provides custom synthesis services for Pentolinium Tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.