Pyridinium, 3-carbamoyl-1-heptyl-, chloride
TL;DR: Pyridinium, 3-carbamoyl-1-heptyl-, chloride (CAS 2255-02-9) is a chemical compound with molecular formula C13H21ClN2O and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-heptylpyridin-1-ium-3-carboxamide chloride
Also Known As: 3-Carbamoyl-1-heptylpyridinium chloride, N(1)-Heptylnicotinamide chloride, Pyridinium, 3-carbamoyl-1-heptyl-, chloride, Pyridinium, 3-(aminocarbonyl)-1-heptyl-, chloride, 1-heptylpyridin-1-ium-3-carboxamide chloride
| Molecular Formula | C13H21ClN2O |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.13425 |
| Heavy Atoms | 17 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 2255-02-9 |
|---|---|
| SMILES | CCCCCCC[N+]1=CC=CC(=C1)C(=O)N.[Cl-] |
| InChIKey | HWEHBOGOQWJDIW-UHFFFAOYSA-N |
Product Overview
Pyridinium, 3-carbamoyl-1-heptyl-, chloride (CAS 2255-02-9), with molecular formula C13H21ClN2O and molecular weight 256.13 g/mol. IUPAC: 1-heptylpyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of Pyridinium, 3-carbamoyl-1-heptyl-, chloride
Property Insights of Pyridinium, 3-carbamoyl-1-heptyl-, chloride
The XLogP value of -0.95 indicates that Pyridinium, 3-carbamoyl-1-heptyl-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.0 Ų, Pyridinium, 3-carbamoyl-1-heptyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-carbamoyl-1-heptyl-, chloride has 1 hydrogen bond donor(s) and 2 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, 3-carbamoyl-1-heptyl-, chloride?
The CAS number of Pyridinium, 3-carbamoyl-1-heptyl-, chloride is 2255-02-9.
What is the molecular formula of Pyridinium, 3-carbamoyl-1-heptyl-, chloride?
The molecular formula of Pyridinium, 3-carbamoyl-1-heptyl-, chloride is C13H21ClN2O.
What is the molecular weight of Pyridinium, 3-carbamoyl-1-heptyl-, chloride?
The molecular weight of Pyridinium, 3-carbamoyl-1-heptyl-, chloride is 256.13 g/mol.
Where can I buy Pyridinium, 3-carbamoyl-1-heptyl-, chloride?
You can request a quote for Pyridinium, 3-carbamoyl-1-heptyl-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-carbamoyl-1-heptyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-carbamoyl-1-heptyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.