Nicotinic acid, tetramethylene ester
TL;DR: Nicotinic acid, tetramethylene ester (CAS 101952-76-5) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(pyridine-3-carbonyloxy)butyl pyridine-3-carboxylate
Also Known As: Tetramethylene nicotinate, Tetramethylenenicotinate, 4-(pyridine-3-carbonyloxy)butyl pyridine-3-carboxylate, NICOTINIC ACID, TETRAMETHYLENE ESTER, Butane-1,4-diyl dinicotinate
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 101952-76-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCOC(=O)C2=CN=CC=C2 |
| InChIKey | PPJDCSQLKYABRQ-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, tetramethylene ester (CAS 101952-76-5), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 4-(pyridine-3-carbonyloxy)butyl pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, tetramethylene ester
Property Insights of Nicotinic acid, tetramethylene ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, tetramethylene ester. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, tetramethylene ester. Following Lipinski's Rule of Five, Nicotinic acid, tetramethylene 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
Frequently Asked Questions
What is the CAS number of Nicotinic acid, tetramethylene ester?
The CAS number of Nicotinic acid, tetramethylene ester is 101952-76-5.
What is the molecular formula of Nicotinic acid, tetramethylene ester?
The molecular formula of Nicotinic acid, tetramethylene ester is C16H16N2O4.
What is the molecular weight of Nicotinic acid, tetramethylene ester?
The molecular weight of Nicotinic acid, tetramethylene ester is 300.11 g/mol.
Where can I buy Nicotinic acid, tetramethylene ester?
You can request a quote for Nicotinic acid, tetramethylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, tetramethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, tetramethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.