Theophylline, 8-(2-hydroxyethylamino)-
TL;DR: Theophylline, 8-(2-hydroxyethylamino)- (CAS 7654-01-5) is a chemical compound with molecular formula C9H13N5O3 and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8- theophyline, Theophylline, 8-(2-hydroxyethylamino)-, 8-(2-Hydroxyethylamino)theophyline, 8-(2-Hydroxyethyl)aminotheophylline, 8-[(2-Hydroxyethyl)amino]theophylline
| Molecular Formula | C9H13N5O3 |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.10184 |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 7654-01-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCO |
| InChIKey | MPFKMHMADVNVJA-UHFFFAOYSA-N |
Product Overview
Theophylline, 8-(2-hydroxyethylamino)- (CAS 7654-01-5), with molecular formula C9H13N5O3 and molecular weight 239.10 g/mol. IUPAC: 8-(2-hydroxyethylamino)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Theophylline, 8-(2-hydroxyethylamino)-
Property Insights of Theophylline, 8-(2-hydroxyethylamino)-
The XLogP value of -0.4 indicates that Theophylline, 8-(2-hydroxyethylamino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-(2-hydroxyethylamino)-. Following Lipinski's Rule of Five, Theophylline, 8-(2-hydroxyethylamino)- 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, 8-(2-hydroxyethylamino)-?
The CAS number of Theophylline, 8-(2-hydroxyethylamino)- is 7654-01-5.
What is the molecular formula of Theophylline, 8-(2-hydroxyethylamino)-?
The molecular formula of Theophylline, 8-(2-hydroxyethylamino)- is C9H13N5O3.
What is the molecular weight of Theophylline, 8-(2-hydroxyethylamino)-?
The molecular weight of Theophylline, 8-(2-hydroxyethylamino)- is 239.10 g/mol.
Where can I buy Theophylline, 8-(2-hydroxyethylamino)-?
You can request a quote for Theophylline, 8-(2-hydroxyethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8-(2-hydroxyethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-(2-hydroxyethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.