3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride (CAS 75458-95-6) is a chemical compound with molecular formula C17H22ClN3O2 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 2-anilinopyridine-3-carboxylate;hydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride, 2-(Phenylamino)-3-pyridinecarboxylic acid 3-(dimethylamino)propyl ester hydrochloride, 3-(dimethylamino)propyl 2-anilinopyridine-3-carboxylate hydrochloride, 3-(Dimethylamino)propyl 2-anilinopyridine-3-carboxylate--hydrogen chloride (1/1), RefChem:282270
| Molecular Formula | C17H22ClN3O2 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 3.3555 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.14005 |
| Heavy Atoms | 23 |
| Complexity | 605.7973 |
Chemical Identifiers
| CAS Number | 75458-95-6 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2.Cl |
Product Overview
3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride (CAS 75458-95-6), with molecular formula C17H22ClN3O2 and molecular weight 335.14 g/mol. IUPAC: 3-(dimethylamino)propyl 2-anilinopyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride
The XLogP value of 3.3555 indicates that 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride has 1 hydrogen bond donor(s) and 5 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-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride is 75458-95-6.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride is C17H22ClN3O2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride is 335.14 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride 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-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-(phenylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.