Nicotinic acid, pentamethylene ester
TL;DR: Nicotinic acid, pentamethylene ester (CAS 101952-68-5) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(pyridine-3-carbonyloxy)pentyl pyridine-3-carboxylate
Also Known As: Pentamethylene nicotinate, pentamethylenenicotinate, Pentamethylene=bis(nicotinate), NICOTINIC ACID, PENTAMETHYLENE ESTER, Pentane-1,5-diyl dipyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C17H18N2O4 |
| Molecular Weight | 314.12665 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.12665 Da |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCCOC(=O)C2=CN=CC=C2 |
| InChIKey | QXAAJEOJGGACLR-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, pentamethylene ester
Property Insights of Nicotinic acid, pentamethylene ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, pentamethylene ester. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, pentamethylene ester. Following Lipinski's Rule of Five, Nicotinic acid, pentamethylene ester has 0 hydrogen bond donor(s) and 6 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, pentamethylene ester?
The CAS number of Nicotinic acid, pentamethylene ester is 101952-68-5.
What is the molecular formula of Nicotinic acid, pentamethylene ester?
The molecular formula of Nicotinic acid, pentamethylene ester is C17H18N2O4.
What is the molecular weight of Nicotinic acid, pentamethylene ester?
The molecular weight of Nicotinic acid, pentamethylene ester is 314.12665 g/mol.
Where can I buy Nicotinic acid, pentamethylene ester?
You can request a quote for Nicotinic acid, pentamethylene ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, pentamethylene ester?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, pentamethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.