Nicotinic acid, 2-(diethylamino)propyl ester
TL;DR: Nicotinic acid, 2-(diethylamino)propyl ester (CAS 101952-59-4) is a chemical compound with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)propyl pyridine-3-carboxylate
Also Known As: 2-(Diethylamino)propyl nicotinate, 2-(Diethylamino)propyl=nicotinate, Nicotinic acid, 2-(diethylamino)propyl ester, 2-(diethylamino)propyl pyridine-3-carboxylate, 3-Pyridinecarboxylicacid, 2-(diethylamino)propyl ester
| Molecular Formula | C13H20N2O2 |
|---|---|
| Molecular Weight | 236.15 g/mol |
| LogP | 1.9687 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.15248 |
| Heavy Atoms | 17 |
| Complexity | 336.5325 |
Chemical Identifiers
| CAS Number | 101952-59-4 |
|---|---|
| SMILES | CCN(CC)C(C)COC(=O)C1=CN=CC=C1 |
Product Overview
Nicotinic acid, 2-(diethylamino)propyl ester (CAS 101952-59-4), with molecular formula C13H20N2O2 and molecular weight 236.15 g/mol. IUPAC: 2-(diethylamino)propyl pyridine-3-carboxylate.
Chemical Property Profile of Nicotinic acid, 2-(diethylamino)propyl ester
Property Insights of Nicotinic acid, 2-(diethylamino)propyl ester
The XLogP value of 1.9687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 2-(diethylamino)propyl ester. With a topological polar surface area (TPSA) of 42.43 Ų, Nicotinic acid, 2-(diethylamino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 2-(diethylamino)propyl ester has 0 hydrogen bond donor(s) and 4 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, 2-(diethylamino)propyl ester?
The CAS number of Nicotinic acid, 2-(diethylamino)propyl ester is 101952-59-4.
What is the molecular formula of Nicotinic acid, 2-(diethylamino)propyl ester?
The molecular formula of Nicotinic acid, 2-(diethylamino)propyl ester is C13H20N2O2.
What is the molecular weight of Nicotinic acid, 2-(diethylamino)propyl ester?
The molecular weight of Nicotinic acid, 2-(diethylamino)propyl ester is 236.15 g/mol.
Where can I buy Nicotinic acid, 2-(diethylamino)propyl ester?
You can request a quote for Nicotinic acid, 2-(diethylamino)propyl 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, 2-(diethylamino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 2-(diethylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.