RefChem:1055803
TL;DR: RefChem:1055803 (CAS 27079-80-7) is a chemical compound with molecular formula C11H13IN2 and molecular weight 300.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyridin-1-ium iodide
Also Known As: 1-Methyl-4-(5-methyl-3-pyrrolyl)pyridinium iodide, Pyridinium, 1-methyl-4-(5-methyl-3-pyrrolyl)-, iodide, 1-methyl-4-(5-methyl-1h-pyrrol-3-yl)pyridinium iodide, Pyridinium, 1-methyl-4-(5-methylpyrrol-3-yl)-, iodide, 1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyridin-1-ium iodide
| Molecular Formula | C11H13IN2 |
|---|---|
| Molecular Weight | 300.01 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 19.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.01236 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 27079-80-7 |
|---|---|
| SMILES | CC1=CC(=CN1)C2=CC=[N+](C=C2)C.[I-] |
| InChIKey | JUEVZYGVJAVKRY-UHFFFAOYSA-N |
Product Overview
RefChem:1055803 (CAS 27079-80-7), with molecular formula C11H13IN2 and molecular weight 300.01 g/mol. IUPAC: 1-methyl-4-(5-methyl-1H-pyrrol-3-yl)pyridin-1-ium iodide.
Chemical Property Profile of RefChem:1055803
Property Insights of RefChem:1055803
The XLogP value of -1.18 indicates that RefChem:1055803 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 19.7 Ų, RefChem:1055803 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055803 has 1 hydrogen bond donor(s) and 1 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 RefChem:1055803?
The CAS number of RefChem:1055803 is 27079-80-7.
What is the molecular formula of RefChem:1055803?
The molecular formula of RefChem:1055803 is C11H13IN2.
What is the molecular weight of RefChem:1055803?
The molecular weight of RefChem:1055803 is 300.01 g/mol.
Where can I buy RefChem:1055803?
You can request a quote for RefChem:1055803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.