Isopropyl nicotinate
TL;DR: Isopropyl nicotinate (CAS 553-60-6) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl pyridine-3-carboxylate
Also Known As: Isopropyl nicotinate, Nipyl, isopropylnicotinate, propan-2-yl pyridine-3-carboxylate, iso-Propyl nicotinate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 553-60-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CN=CC=C1 |
| InChIKey | VSRSQDMWBSKNSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl nicotinate (CAS 553-60-6), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: propan-2-yl pyridine-3-carboxylate.
Chemical Property Profile of Isopropyl nicotinate
Property Insights of Isopropyl nicotinate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl nicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Isopropyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl nicotinate 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
Frequently Asked Questions
What is the CAS number of Isopropyl nicotinate?
The CAS number of Isopropyl nicotinate is 553-60-6.
What is the molecular formula of Isopropyl nicotinate?
The molecular formula of Isopropyl nicotinate is C9H11NO2.
What is the molecular weight of Isopropyl nicotinate?
The molecular weight of Isopropyl nicotinate is 165.08 g/mol.
Where can I buy Isopropyl nicotinate?
You can request a quote for Isopropyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.