Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)
TL;DR: Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) (CAS 32306-34-6) is a chemical compound with molecular formula C13H13N5O4 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7H-purine-2,6-dione;pyridine-3-carboxylic acid
Also Known As: Theophylline nicotinate, 1,3-dimethyl-7H-purine-2,6-dione, Nicotinic acid, compd. with theophylline (1:1), pyridine-3-carboxylic acid- 1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1), 1,3-dimethyl-7H-purine-2,6-dione,pyridine-3-carboxylic acid
| Molecular Formula | C13H13N5O4 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | -0.2599 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.09674 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 32306-34-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC(=CN=C1)C(=O)O |
| InChIKey | FWZBHOANBPBKHU-UHFFFAOYSA-N |
Product Overview
Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) (CAS 32306-34-6), with molecular formula C13H13N5O4 and molecular weight 303.10 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;pyridine-3-carboxylic acid.
Chemical Property Profile of Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)
Property Insights of Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)
The XLogP value of -0.2599 indicates that Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1). Following Lipinski's Rule of Five, Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) has 2 hydrogen bond donor(s) and 6 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 Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)?
The CAS number of Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) is 32306-34-6.
What is the molecular formula of Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)?
The molecular formula of Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) is C13H13N5O4.
What is the molecular weight of Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)?
The molecular weight of Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) is 303.10 g/mol.
Where can I buy Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)?
You can request a quote for Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridine-3-carboxylic acid-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.