3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride (CAS 64823-78-5) is a chemical compound with molecular formula C9H14Cl2N2O2 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)ethyl pyridine-3-carboxylate;dihydrochloride
Also Known As: 2-(Methylamino)ethyl 3-pyridinecarboxylate dihydrochloride, 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride, 2-(methylamino)ethyl pyridine-3-carboxylate dihydrochloride, 2-(methylamino)ethyl pyridine-3-carboxylate,dihydrochloride, 2-(Methylamino)ethyl pyridine-3-carboxylate--hydrogen chloride (1/2)
| Molecular Formula | C9H14Cl2N2O2 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 1.3014 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.04323 |
| Heavy Atoms | 15 |
| Complexity | 270.07468 |
Chemical Identifiers
| CAS Number | 64823-78-5 |
|---|---|
| SMILES | CNCCOC(=O)C1=CN=CC=C1.Cl.Cl |
Product Overview
3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride (CAS 64823-78-5), with molecular formula C9H14Cl2N2O2 and molecular weight 252.04 g/mol. IUPAC: 2-(methylamino)ethyl pyridine-3-carboxylate;dihydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride
The XLogP value of 1.3014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride. With a topological polar surface area (TPSA) of 51.22 Ų, 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride 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
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride is 64823-78-5.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride is C9H14Cl2N2O2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride is 252.04 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-(methylamino)ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.