7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate
TL;DR: 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate (CAS 50978-39-7) is a chemical compound with molecular formula C21H23N7O4 and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-[methyl(pyridin-2-yl)amino]ethyl]purine-2,6-dione;pyridine-3-carboxylic acid
Also Known As: 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate, 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-(2-(methyl-2-pyridinylamino)ethyl)-1H-purine-2,6-dione (1:1), 1,3-dimethyl-7-[2-[methyl(pyridin-2-yl)amino]ethyl]purine-2,6-dione; pyridine-3-carboxylic acid, Pyridine-3-carboxylic acid--1,3-dimethyl-7-{2-[methyl(pyridin-2-yl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione (1/1)
| Molecular Formula | C21H23N7O4 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 0.7449 |
| Topological Polar Surface Area | 128.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.18115 |
| Heavy Atoms | 32 |
| Complexity | 1327.5197 |
Chemical Identifiers
| CAS Number | 50978-39-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C3=CC=CC=N3.C1=CC(=CN=C1)C(=O)O |
Product Overview
7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate (CAS 50978-39-7), with molecular formula C21H23N7O4 and molecular weight 437.18 g/mol. IUPAC: 1,3-dimethyl-7-[2-[methyl(pyridin-2-yl)amino]ethyl]purine-2,6-dione;pyridine-3-carboxylic acid.
Chemical Property Profile of 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate
Property Insights of 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate
The XLogP value of 0.7449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate. The TPSA of 128.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate. Following Lipinski's Rule of Five, 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate has 1 hydrogen bond donor(s) and 7 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 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate?
The CAS number of 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate is 50978-39-7.
What is the molecular formula of 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate?
The molecular formula of 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate is C21H23N7O4.
What is the molecular weight of 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate?
The molecular weight of 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate is 437.18 g/mol.
Where can I buy 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate?
You can request a quote for 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(Pyridyl)-methylamino-ethyl)-theophylline nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.