Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-
TL;DR: Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- (CAS 78960-48-2) is a chemical compound with molecular formula C20H27N5O6 and molecular weight 433.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-Dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)theophylline, Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-, 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino, 7-(2,3-dihydroxypropyl)-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2,3-Dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)theophyline
| Molecular Formula | C20H27N5O6 |
|---|---|
| Molecular Weight | 433.20 g/mol |
| LogP | -0.5413 |
| Topological Polar Surface Area | 132.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.19614 |
| Heavy Atoms | 31 |
| Complexity | 1195.4594 |
Chemical Identifiers
| CAS Number | 78960-48-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC(=C(C=C3)OC)OC)CC(CO)O |
Product Overview
Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- (CAS 78960-48-2), with molecular formula C20H27N5O6 and molecular weight 433.20 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-
Property Insights of Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-
The XLogP value of -0.5413 indicates that Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-. Following Lipinski's Rule of Five, Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- has 3 hydrogen bond donor(s) and 8 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-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-?
The CAS number of Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- is 78960-48-2.
What is the molecular formula of Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-?
The molecular formula of Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- is C20H27N5O6.
What is the molecular weight of Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-?
The molecular weight of Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- is 433.20 g/mol.
Where can I buy Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-?
You can request a quote for Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.