4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium
TL;DR: 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium (CAS 101418-92-2) is a chemical compound with molecular formula C14H18N+ and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-4-phenyl-2H-pyridin-1-ium
Also Known As: 3,3-Dimethyl-MPDP, 3,3-DM-Mpdp, 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium, 1,3,3-trimethyl-4-phenyl-2H-pyridin-1-ium, Pyridinium,2,3-dihydro-1,3,3-trimethyl-4-phenyl-
| Molecular Formula | C14H18N+ |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.14392 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 101418-92-2 |
|---|---|
| SMILES | CC1(C[N+](=CC=C1C2=CC=CC=C2)C)C |
| InChIKey | SMZKEAJMLGARFK-UHFFFAOYSA-N |
Product Overview
4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium (CAS 101418-92-2), with molecular formula C14H18N+ and molecular weight 200.14 g/mol. IUPAC: 1,3,3-trimethyl-4-phenyl-2H-pyridin-1-ium.
Chemical Property Profile of 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium
Property Insights of 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium. With a topological polar surface area (TPSA) of 3.0 Ų, 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium has 0 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 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium?
The CAS number of 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium is 101418-92-2.
What is the molecular formula of 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium?
The molecular formula of 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium is C14H18N+.
What is the molecular weight of 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium?
The molecular weight of 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium is 200.14 g/mol.
Where can I buy 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium?
You can request a quote for 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,3,3-trimethyl-2,3-dihydropyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.