propiothetin
TL;DR: propiothetin (CAS 23858-78-8) is a chemical compound with molecular formula C33H30I2N6O3 and molecular weight 812.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide
Also Known As: propiothetin, 1-methyl-3-[(4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)benzoyl]amino}benzoyl)amino]pyridinium diiodide, Pyridinium, 1-methyl-3-(p-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)benzamido)benzamido)-, diiodide, 4-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide, 4-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide,diiodide
| Molecular Formula | C33H30I2N6O3 |
|---|---|
| Molecular Weight | 812.05 g/mol |
| LogP | -1.1559 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 812.0469 |
| Heavy Atoms | 44 |
| Complexity | 884.0 |
Chemical Identifiers
| CAS Number | 23858-78-8 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C.[I-].[I-] |
| InChIKey | XWXOIDMIQCBSAF-UHFFFAOYSA-N |
Product Overview
propiothetin (CAS 23858-78-8), with molecular formula C33H30I2N6O3 and molecular weight 812.05 g/mol. IUPAC: 4-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide.
Chemical Property Profile of propiothetin
Property Insights of propiothetin
The XLogP value of -1.1559 indicates that propiothetin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for propiothetin. Following Lipinski's Rule of Five, propiothetin has 4 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 propiothetin?
The CAS number of propiothetin is 23858-78-8.
What is the molecular formula of propiothetin?
The molecular formula of propiothetin is C33H30I2N6O3.
What is the molecular weight of propiothetin?
The molecular weight of propiothetin is 812.05 g/mol.
Where can I buy propiothetin?
You can request a quote for propiothetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propiothetin?
Yes, KEHONG BIO provides custom synthesis services for propiothetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.