Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-
TL;DR: Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- (CAS 78960-43-7) is a chemical compound with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione
Also Known As: 8-Allylamino-7-(2,3-dihydroxypropyl)theophylline, Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-, 8-(Allylamino)-7-(2,3-dihydroxypropyl)theophyline, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione, 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(prop-2-en-1-yl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C13H19N5O4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | -1.6152 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1437 |
| Heavy Atoms | 22 |
| Complexity | 816.4155 |
Chemical Identifiers
| CAS Number | 78960-43-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CC(CO)O |
Product Overview
Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- (CAS 78960-43-7), with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol. IUPAC: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione.
Chemical Property Profile of Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-
Property Insights of Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-
The XLogP value of -1.6152 indicates that Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-. Following Lipinski's Rule of Five, Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- has 3 hydrogen bond donor(s) and 6 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-allylamino-7-(2,3-dihydroxypropyl)-?
The CAS number of Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- is 78960-43-7.
What is the molecular formula of Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-?
The molecular formula of Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- is C13H19N5O4.
What is the molecular weight of Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-?
The molecular weight of Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- is 309.14 g/mol.
Where can I buy Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-?
You can request a quote for Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-allylamino-7-(2,3-dihydroxypropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.