Theophylline isopropanolamine
TL;DR: Theophylline isopropanolamine (CAS 5600-19-1) is a chemical compound with molecular formula C10H17N5O3 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-aminopropan-2-ol;1,3-dimethyl-7H-purine-2,6-dione
Also Known As: Oxyphylline, Theopropanol, Theophylline isopropanolamine, THEOPHYLLINE ISOPROPANOLAMINE [MI], 1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione- 1-aminopropan-2-ol(1:1)
| Molecular Formula | C10H17N5O3 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | -1.71 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.13313 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5600-19-1 |
|---|---|
| SMILES | CC(CN)O.CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChIKey | QFJDTNNSYMKICD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theophylline isopropanolamine (CAS 5600-19-1), with molecular formula C10H17N5O3 and molecular weight 255.13 g/mol. IUPAC: 1-aminopropan-2-ol;1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Theophylline isopropanolamine
Property Insights of Theophylline isopropanolamine
The XLogP value of -1.71 indicates that Theophylline isopropanolamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline isopropanolamine. Following Lipinski's Rule of Five, Theophylline isopropanolamine has 3 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 isopropanolamine?
The CAS number of Theophylline isopropanolamine is 5600-19-1.
What is the molecular formula of Theophylline isopropanolamine?
The molecular formula of Theophylline isopropanolamine is C10H17N5O3.
What is the molecular weight of Theophylline isopropanolamine?
The molecular weight of Theophylline isopropanolamine is 255.13 g/mol.
Where can I buy Theophylline isopropanolamine?
You can request a quote for Theophylline isopropanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline isopropanolamine?
Yes, KEHONG BIO provides custom synthesis services for Theophylline isopropanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.