西吡氯铵
TL;DR: 西吡氯铵 (CAS 123-03-5) is a chemical compound with molecular formula C21H38ClN and molecular weight 339.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西吡氯铵
1-hexadecylpyridin-1-ium chloride
Also Known As: cetylpyridinium chloride, Pristacin, Cepacol, Ceprim, Cetamium
| Molecular Formula | C21H38ClN |
|---|---|
| Molecular Weight | 339.27 g/mol |
| LogP | 3.46 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 339.2693 |
| Heavy Atoms | 23 |
| Complexity | 208.0 |
| Melting Point | 80 °C |
| Solubility | Very soluble in water, chloroform |
| Refractive Index | (@ 20 °C): MONOCLINIC 1.509; TRICLINIC 1.566; ORTHORHOMBIC 1.613 |
Chemical Identifiers
| CAS Number | 123-03-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-] |
| InChIKey | YMKDRGPMQRFJGP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西吡氯铵 (CAS 123-03-5), with molecular formula C21H38ClN and molecular weight 339.27 g/mol. IUPAC: 1-hexadecylpyridin-1-ium chloride.
Chemical Property Profile of 西吡氯铵
Property Insights of 西吡氯铵
The XLogP value of 3.46 indicates that 西吡氯铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, 西吡氯铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 西吡氯铵 has 0 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 西吡氯铵?
The CAS number of 西吡氯铵 is 123-03-5.
What is the molecular formula of 西吡氯铵?
The molecular formula of 西吡氯铵 is C21H38ClN.
What is the molecular weight of 西吡氯铵?
The molecular weight of 西吡氯铵 is 339.27 g/mol.
Where can I buy 西吡氯铵?
You can request a quote for 西吡氯铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西吡氯铵?
Yes, KEHONG BIO provides custom synthesis services for 西吡氯铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.