1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)
TL;DR: 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) (CAS 22101-43-5) is a chemical compound with molecular formula C16H20Br2N4O2 and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxamide dibromide
Also Known As: G.L. 204, KST-1B1801, P.M. 460, 1,1'-butane-1,4-diylbis(3-carbamoylpyridinium) dibromide, 1,1'-Tetramethylenebis(3-carbamoylpyridinium bromide)
| Molecular Formula | C16H20Br2N4O2 |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | -6.0522 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.9953 |
| Heavy Atoms | 24 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 22101-43-5 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CCCC[N+]2=CC=CC(=C2)C(=O)N)C(=O)N.[Br-].[Br-] |
| InChIKey | BBVWQBFYOIYIKU-UHFFFAOYSA-N |
Product Overview
1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) (CAS 22101-43-5), with molecular formula C16H20Br2N4O2 and molecular weight 458.00 g/mol. IUPAC: 1-[4-(3-carbamoylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-carboxamide dibromide.
Chemical Property Profile of 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)
Property Insights of 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)
The XLogP value of -6.0522 indicates that 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) 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 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2). Following Lipinski's Rule of Five, 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) 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 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)?
The CAS number of 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) is 22101-43-5.
What is the molecular formula of 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)?
The molecular formula of 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) is C16H20Br2N4O2.
What is the molecular weight of 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)?
The molecular weight of 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) is 458.00 g/mol.
Where can I buy 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)?
You can request a quote for 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Butane-1,4-diyl)di(pyridin-1-ium-3-carboximidate)--hydrogen bromide (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.