7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline
TL;DR: 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline (CAS 111038-27-8) is a chemical compound with molecular formula C12H19N5O5 and molecular weight 313.1386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline, 3,7-Dihydro-7-(2,3-dihydroxypropyl)-8-((2-hydroxyethyl)amino)-1,3-dimethyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((2-hydroxyethyl)amino)-, 7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione, 7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2, 6-dione
Technical Specifications
| Molecular Formula | C12H19N5O5 |
| Molecular Weight | 313.1386 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1386 Da |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC(CO)O |
| InChIKey | JUIRIWGSBLYPRL-UHFFFAOYSA-N |
Chemical Property Profile of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline
Property Insights of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline
The XLogP value of -2.2 indicates that 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline. Following Lipinski's Rule of Five, 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline?
The CAS number of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline is 111038-27-8.
What is the molecular formula of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline?
The molecular formula of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline is C12H19N5O5.
What is the molecular weight of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline?
The molecular weight of 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline is 313.1386 g/mol.
Where can I buy 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline?
You can request a quote for 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline?
Yes, CoreyChem provides custom synthesis services for 7-(2,3-Dihydroxypropyl)-8-beta-hydroxyethylaminotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.