3-Carbamoyl-1-dodecylpyridinium chloride
TL;DR: 3-Carbamoyl-1-dodecylpyridinium chloride (CAS 2254-99-1) is a chemical compound with molecular formula C18H32ClN2O+ and molecular weight 327.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dodecylpyridin-1-ium-3-carboxamide;hydrochloride
Also Known As: Dodecylnicotinamide, 3-Carbamoyl-1-dodecylpyridinium chloride, Pyridinium, 3-carbamoyl-1-dodecyl-, chloride, 1-dodecylpyridin-1-ium-3-carboxamide;hydrochloride, 1-dodecylpyridin-1-ium-3-carboxamide hydrochloride
| Molecular Formula | C18H32ClN2O+ |
|---|---|
| Molecular Weight | 327.22 g/mol |
| LogP | 4.4157 |
| Topological Polar Surface Area | 46.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 327.2203 |
| Heavy Atoms | 22 |
| Complexity | 409.82855 |
Chemical Identifiers
| CAS Number | 2254-99-1 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N.Cl |
Product Overview
3-Carbamoyl-1-dodecylpyridinium chloride (CAS 2254-99-1), with molecular formula C18H32ClN2O+ and molecular weight 327.22 g/mol. IUPAC: 1-dodecylpyridin-1-ium-3-carboxamide;hydrochloride.
Chemical Property Profile of 3-Carbamoyl-1-dodecylpyridinium chloride
Property Insights of 3-Carbamoyl-1-dodecylpyridinium chloride
The XLogP value of 4.4157 indicates that 3-Carbamoyl-1-dodecylpyridinium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.97 Ų, 3-Carbamoyl-1-dodecylpyridinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carbamoyl-1-dodecylpyridinium chloride has 1 hydrogen bond donor(s) and 1 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-Carbamoyl-1-dodecylpyridinium chloride?
The CAS number of 3-Carbamoyl-1-dodecylpyridinium chloride is 2254-99-1.
What is the molecular formula of 3-Carbamoyl-1-dodecylpyridinium chloride?
The molecular formula of 3-Carbamoyl-1-dodecylpyridinium chloride is C18H32ClN2O+.
What is the molecular weight of 3-Carbamoyl-1-dodecylpyridinium chloride?
The molecular weight of 3-Carbamoyl-1-dodecylpyridinium chloride is 327.22 g/mol.
Where can I buy 3-Carbamoyl-1-dodecylpyridinium chloride?
You can request a quote for 3-Carbamoyl-1-dodecylpyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbamoyl-1-dodecylpyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbamoyl-1-dodecylpyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.