Nicotinic acid, alpha-(p-tolyl)benzyl ester
TL;DR: Nicotinic acid, alpha-(p-tolyl)benzyl ester (CAS 101952-82-3) is a chemical compound with molecular formula C20H17NO2 and molecular weight 303.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4-methylphenyl)-phenylmethyl] pyridine-3-carboxylate
Also Known As: alpha-(p-Tolyl)benzyl nicotinate, alpha-(p-Tolyl)benzyl=nicotinate, NICOTINIC ACID, alpha-(p-TOLYL)BENZYL ESTER, 4-22-00-00369 (Beilstein Handbook Reference), [(4-methylphenyl)-phenylmethyl] pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C20H17NO2 |
| Molecular Weight | 303.12592 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.12592 Da |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CN=CC=C3 |
| InChIKey | OBQFMZHIVBKRDA-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, alpha-(p-tolyl)benzyl ester
Property Insights of Nicotinic acid, alpha-(p-tolyl)benzyl ester
The XLogP value of 4.5 indicates that Nicotinic acid, alpha-(p-tolyl)benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Nicotinic acid, alpha-(p-tolyl)benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, alpha-(p-tolyl)benzyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nicotinic acid, alpha-(p-tolyl)benzyl ester?
The CAS number of Nicotinic acid, alpha-(p-tolyl)benzyl ester is 101952-82-3.
What is the molecular formula of Nicotinic acid, alpha-(p-tolyl)benzyl ester?
The molecular formula of Nicotinic acid, alpha-(p-tolyl)benzyl ester is C20H17NO2.
What is the molecular weight of Nicotinic acid, alpha-(p-tolyl)benzyl ester?
The molecular weight of Nicotinic acid, alpha-(p-tolyl)benzyl ester is 303.12592 g/mol.
Where can I buy Nicotinic acid, alpha-(p-tolyl)benzyl ester?
You can request a quote for Nicotinic acid, alpha-(p-tolyl)benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, alpha-(p-tolyl)benzyl ester?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, alpha-(p-tolyl)benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.