Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-
TL;DR: Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- (CAS 5135-94-4) is a chemical compound with molecular formula C14H21N5O4 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-morpholin-4-ylpropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-Hydroxy-3-morpholinopropyl)theophylline, Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-, BAS 06503250, 7-(2-hydroxy-3-morpholin-4-ylpropyl)-1,3-dimethylpurine-2,6-dione, 7-<2-Hydroxy-3-morpholino-propyl>-theophyllin
| Molecular Formula | C14H21N5O4 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.15936 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 5135-94-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCOCC3)O |
| InChIKey | MPDQZYFYTXUHCN-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- (CAS 5135-94-4), with molecular formula C14H21N5O4 and molecular weight 323.16 g/mol. IUPAC: 7-(2-hydroxy-3-morpholin-4-ylpropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-
Property Insights of Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-
The XLogP value of -1.5 indicates that Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- has 1 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 Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-?
The CAS number of Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- is 5135-94-4.
What is the molecular formula of Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-?
The molecular formula of Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- is C14H21N5O4.
What is the molecular weight of Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-?
The molecular weight of Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- is 323.16 g/mol.
Where can I buy Theophylline, 7-(2-hydroxy-3-morpholinopropyl)-?
You can request a quote for Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- 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-morpholinopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-hydroxy-3-morpholinopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.