Nicotinic acid, 3-hydroxypropyl ester
TL;DR: Nicotinic acid, 3-hydroxypropyl ester (CAS 101952-65-2) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxypropyl pyridine-3-carboxylate
Also Known As: 3-Hydroxypropyl nicotinate, 3-hydroxypropyl pyridine-3-carboxylate, 3-Hydroxypropyl=nicotinate, 3-Pyridinecarboxylic acid, 3-hydroxypropyl ester, NICOTINIC ACID, 3-HYDROXYPROPYL ESTER
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.0739 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.0739 Da |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
| SMILES | C1=CC(=CN=C1)C(=O)OCCCO |
| InChIKey | OVVPXBCSMMGCTP-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, 3-hydroxypropyl ester
Property Insights of Nicotinic acid, 3-hydroxypropyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 3-hydroxypropyl ester. With a topological polar surface area (TPSA) of 59.4 Ų, Nicotinic acid, 3-hydroxypropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 3-hydroxypropyl ester has 1 hydrogen bond donor(s) and 4 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, 3-hydroxypropyl ester?
The CAS number of Nicotinic acid, 3-hydroxypropyl ester is 101952-65-2.
What is the molecular formula of Nicotinic acid, 3-hydroxypropyl ester?
The molecular formula of Nicotinic acid, 3-hydroxypropyl ester is C9H11NO3.
What is the molecular weight of Nicotinic acid, 3-hydroxypropyl ester?
The molecular weight of Nicotinic acid, 3-hydroxypropyl ester is 181.0739 g/mol.
Where can I buy Nicotinic acid, 3-hydroxypropyl ester?
You can request a quote for Nicotinic acid, 3-hydroxypropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, 3-hydroxypropyl ester?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, 3-hydroxypropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.