(3,4-Bispyridinium-1,1-dimethyl)urea diiodide
TL;DR: (3,4-Bispyridinium-1,1-dimethyl)urea diiodide (CAS 61369-17-3) is a chemical compound with molecular formula C13H16I2N4O and molecular weight 497.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methylpyridin-1-ium-3-yl)-3-(1-methylpyridin-1-ium-4-yl)urea diiodide
Also Known As: HH54, HH 54, (3,4-Bispyridinium-1,1-dimethyl)urea diiodide, methyl 8-methylsulfanyl-9-oxodecanoate, tert-butyl 8-methylsulfanyl-9-oxodecanoate
| Molecular Formula | C13H16I2N4O |
|---|---|
| Molecular Weight | 497.94 g/mol |
| LogP | -5.0124 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 497.94135 |
| Heavy Atoms | 20 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 61369-17-3 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)NC(=O)NC2=C[N+](=CC=C2)C.[I-].[I-] |
| InChIKey | HBWHPDPDTOIVLW-UHFFFAOYSA-N |
Product Overview
(3,4-Bispyridinium-1,1-dimethyl)urea diiodide (CAS 61369-17-3), with molecular formula C13H16I2N4O and molecular weight 497.94 g/mol. IUPAC: 1-(1-methylpyridin-1-ium-3-yl)-3-(1-methylpyridin-1-ium-4-yl)urea diiodide.
Chemical Property Profile of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide
Property Insights of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide
The XLogP value of -5.0124 indicates that (3,4-Bispyridinium-1,1-dimethyl)urea diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.9 Ų, (3,4-Bispyridinium-1,1-dimethyl)urea diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Bispyridinium-1,1-dimethyl)urea diiodide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide?
The CAS number of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide is 61369-17-3.
What is the molecular formula of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide?
The molecular formula of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide is C13H16I2N4O.
What is the molecular weight of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide?
The molecular weight of (3,4-Bispyridinium-1,1-dimethyl)urea diiodide is 497.94 g/mol.
Where can I buy (3,4-Bispyridinium-1,1-dimethyl)urea diiodide?
You can request a quote for (3,4-Bispyridinium-1,1-dimethyl)urea diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Bispyridinium-1,1-dimethyl)urea diiodide?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Bispyridinium-1,1-dimethyl)urea diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.