Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate
TL;DR: Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate (CAS 220997-97-7) is a chemical compound with molecular formula C14H16Br2N4O2 and molecular weight 429.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide dibromide
Also Known As: G.L. 202, KST-1B1798, P.M. 450, 1,1'-Ethylenebis(3-carbamoylpyridinium bromide) hydrate, 1,1'-ethane-1,2-diylbis(3-carbamoylpyridinium) dibromide
| Molecular Formula | C14H16Br2N4O2 |
|---|---|
| Molecular Weight | 429.96 g/mol |
| LogP | -6.8324 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.964 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 220997-97-7 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N.[Br-].[Br-] |
| InChIKey | AYYDIMSIBNHLHV-UHFFFAOYSA-N |
Product Overview
Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate (CAS 220997-97-7), with molecular formula C14H16Br2N4O2 and molecular weight 429.96 g/mol. IUPAC: 1-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxamide dibromide.
Chemical Property Profile of Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate
Property Insights of Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate
The XLogP value of -6.8324 indicates that Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate. Following Lipinski's Rule of Five, Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate has 2 hydrogen bond donor(s) and 4 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 Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate?
The CAS number of Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate is 220997-97-7.
What is the molecular formula of Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate?
The molecular formula of Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate is C14H16Br2N4O2.
What is the molecular weight of Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate?
The molecular weight of Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate is 429.96 g/mol.
Where can I buy Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate?
You can request a quote for Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1,1'-ethylenebis(3-carbamoyl-, dibromide, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.