N(1)-Hexylnicotinamide
TL;DR: N(1)-Hexylnicotinamide (CAS 23111-71-9) is a chemical compound with molecular formula C12H19ClN2O and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexylpyridin-1-ium-3-carboxamide chloride
Also Known As: N(1)-Hexylnicotinamide, N(1)-Hexylnicotinamide chloride, 3-Carbamoyl-1-hexylpyridinium chloride, Pyridinium, 3-carbamoyl-1-hexyl-, chloride, Pyridinium, 3-(aminocarbonyl)-1-hexyl-, chloride
| Molecular Formula | C12H19ClN2O |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | -1.3427 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.11859 |
| Heavy Atoms | 16 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 23111-71-9 |
|---|---|
| SMILES | CCCCCC[N+]1=CC=CC(=C1)C(=O)N.[Cl-] |
| InChIKey | GMGRLXMEILUBQI-UHFFFAOYSA-N |
Product Overview
N(1)-Hexylnicotinamide (CAS 23111-71-9), with molecular formula C12H19ClN2O and molecular weight 242.12 g/mol. IUPAC: 1-hexylpyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of N(1)-Hexylnicotinamide
Property Insights of N(1)-Hexylnicotinamide
The XLogP value of -1.3427 indicates that N(1)-Hexylnicotinamide 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, N(1)-Hexylnicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N(1)-Hexylnicotinamide 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 N(1)-Hexylnicotinamide?
The CAS number of N(1)-Hexylnicotinamide is 23111-71-9.
What is the molecular formula of N(1)-Hexylnicotinamide?
The molecular formula of N(1)-Hexylnicotinamide is C12H19ClN2O.
What is the molecular weight of N(1)-Hexylnicotinamide?
The molecular weight of N(1)-Hexylnicotinamide is 242.12 g/mol.
Where can I buy N(1)-Hexylnicotinamide?
You can request a quote for N(1)-Hexylnicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1)-Hexylnicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N(1)-Hexylnicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.