7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline
TL;DR: 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline (CAS 5135-92-2) is a chemical compound with molecular formula C14H21N5O3 and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline, 5-26-14-00055 (Beilstein Handbook Reference), 7-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione, Theophylline, 7-(2-hydroxy-3-(1-pyrrolidinyl)propyl)-, 7-<2-Hydroxy-3-pyrrolidino-propyl>-theophyllin
| Molecular Formula | C14H21N5O3 |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.16443 |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 5135-92-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCCC3)O |
| InChIKey | RYLZSSCIDKBMID-UHFFFAOYSA-N |
Product Overview
7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline (CAS 5135-92-2), with molecular formula C14H21N5O3 and molecular weight 307.16 g/mol. IUPAC: 7-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline
Property Insights of 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline
The XLogP value of -0.6 indicates that 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline 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 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline. Following Lipinski's Rule of Five, 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline 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 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline?
The CAS number of 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline is 5135-92-2.
What is the molecular formula of 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline?
The molecular formula of 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline is C14H21N5O3.
What is the molecular weight of 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline?
The molecular weight of 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline is 307.16 g/mol.
Where can I buy 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline?
You can request a quote for 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)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-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Hydroxy-3-(1-pyrrolidinyl)propyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.