Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-
TL;DR: Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- (CAS 7532-45-8) is a chemical compound with molecular formula C15H23N5O3 and molecular weight 321.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-Hydroxy-3-piperidinopropyl)theophylline, BAS 06503249, Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-, 7-(2-HYDROXY-3-PIPERIDIN-1-YLPROPYL)THEOPHYLLINE, 7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C15H23N5O3 |
|---|---|
| Molecular Weight | 321.18 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.18008 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 7532-45-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCCCC3)O |
| InChIKey | IDTWEVXNTRCGBP-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- (CAS 7532-45-8), with molecular formula C15H23N5O3 and molecular weight 321.18 g/mol. IUPAC: 7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-
Property Insights of Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-
The XLogP value of -0.3 indicates that Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- 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 Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-?
The CAS number of Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- is 7532-45-8.
What is the molecular formula of Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-?
The molecular formula of Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- is C15H23N5O3.
What is the molecular weight of Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-?
The molecular weight of Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- is 321.18 g/mol.
Where can I buy Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-?
You can request a quote for Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-hydroxy-3-piperidinopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-hydroxy-3-piperidinopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.