Nicotinic acid, alpha-phenylbenzyl ester
TL;DR: Nicotinic acid, alpha-phenylbenzyl ester (CAS 101895-26-5) is a chemical compound with molecular formula C19H15NO2 and molecular weight 289.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzhydryl pyridine-3-carboxylate
Also Known As: alpha-Phenylbenzyl nicotinate, alpha-Phenylbenzyl=nicotinate, benzhydryl pyridine-3-carboxylate, NICOTINIC ACID, alpha-PHENYLBENZYL ESTER, DIPHENYLMETHYL PYRIDINE-3-CARBOXYLATE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H15NO2 |
| Molecular Weight | 289.1103 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.1103 Da |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CN=CC=C3 |
| InChIKey | PXYLRFZSCPICNC-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, alpha-phenylbenzyl ester
Property Insights of Nicotinic acid, alpha-phenylbenzyl ester
The XLogP value of 4.1 indicates that Nicotinic acid, alpha-phenylbenzyl 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-phenylbenzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, alpha-phenylbenzyl 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-phenylbenzyl ester?
The CAS number of Nicotinic acid, alpha-phenylbenzyl ester is 101895-26-5.
What is the molecular formula of Nicotinic acid, alpha-phenylbenzyl ester?
The molecular formula of Nicotinic acid, alpha-phenylbenzyl ester is C19H15NO2.
What is the molecular weight of Nicotinic acid, alpha-phenylbenzyl ester?
The molecular weight of Nicotinic acid, alpha-phenylbenzyl ester is 289.1103 g/mol.
Where can I buy Nicotinic acid, alpha-phenylbenzyl ester?
You can request a quote for Nicotinic acid, alpha-phenylbenzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, alpha-phenylbenzyl ester?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, alpha-phenylbenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.