1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride
TL;DR: 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride (CAS 4600-97-9) is a chemical compound with molecular formula C13H17Cl2N and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride
Also Known As: EINECS 225-003-6, 1- -1,2,3,6-tetrahydro-4-phenylpyridiniumchloride, 1-(2-Chloroethyl)-1,2,3,6-tetrahydro-4-phenylpyridinium chloride
| Molecular Formula | C13H17Cl2N |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | -1.3986 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0738 |
| Heavy Atoms | 16 |
| Complexity | 335.04565 |
Chemical Identifiers
| CAS Number | 4600-97-9 |
|---|---|
| SMILES | C1C[NH+](CC=C1C2=CC=CC=C2)CCCl.[Cl-] |
Product Overview
1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride (CAS 4600-97-9), with molecular formula C13H17Cl2N and molecular weight 257.07 g/mol. IUPAC: 1-(2-chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride.
Chemical Property Profile of 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride
Property Insights of 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride
The XLogP value of -1.3986 indicates that 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.44 Ų, 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride has 1 hydrogen bond donor(s) and 0 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 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride?
The CAS number of 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride is 4600-97-9.
What is the molecular formula of 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride?
The molecular formula of 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride is C13H17Cl2N.
What is the molecular weight of 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride?
The molecular weight of 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride is 257.07 g/mol.
Where can I buy 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride?
You can request a quote for 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.