3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium
TL;DR: 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium (CAS 51652-08-5) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonate
Also Known As: NICOTINAMIDEN1-PROPYLSULFONATE, 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium, alpha-Amino-4-octylbenzenebutanoic Acid, 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonate, Nicotinamide N1-propylsulfonate inner salt
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 51652-08-5 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C(=O)N |
| InChIKey | XIBSUARVKSGYPL-UHFFFAOYSA-N |
Product Overview
3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium (CAS 51652-08-5), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium
Property Insights of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium
The XLogP value of -1.0 indicates that 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium. Following Lipinski's Rule of Five, 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium has 1 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 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium?
The CAS number of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium is 51652-08-5.
What is the molecular formula of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium?
The molecular formula of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium is C9H12N2O4S.
What is the molecular weight of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium?
The molecular weight of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium is 244.05 g/mol.
Where can I buy 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium?
You can request a quote for 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.