7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline
TL;DR: 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline (CAS 28345-97-3) is a chemical compound with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione
Also Known As: MDV 2, 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline, 5-26-19-00156 (Beilstein Handbook Reference), Theophylline, 7-(2,3-dihydroxypropyl)-8-(3-pyridylmethyl)-, (Dioxy-2'',3'' propyl)-7 (pyridyl-3' methyl)-8 theophylline [French]
| Molecular Formula | C16H19N5O4 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.1437 |
| Heavy Atoms | 25 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 28345-97-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CC(CO)O |
| InChIKey | AGBXEAQAOHJACV-UHFFFAOYSA-N |
Product Overview
7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline (CAS 28345-97-3), with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline
Property Insights of 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline
The XLogP value of -0.9 indicates that 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline. Following Lipinski's Rule of Five, 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline 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 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline?
The CAS number of 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline is 28345-97-3.
What is the molecular formula of 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline?
The molecular formula of 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline is C16H19N5O4.
What is the molecular weight of 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline?
The molecular weight of 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline is 345.14 g/mol.
Where can I buy 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline?
You can request a quote for 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,3-Dihydroxypropyl)-8-(3-pyridylmethyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.