8-Anilino-7-(2,3-dihydroxypropyl)theophylline
TL;DR: 8-Anilino-7-(2,3-dihydroxypropyl)theophylline (CAS 78960-47-1) is a chemical compound with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-Anilino-7-(2,3-dihydroxypropyl)theophylline, Theophylline, 8-anilino-7-(2,3-dihydroxypropyl)-, 8-Anilino-7-(2,3-dihydroxypropyl)theophyline, Theophylline,8-anilino-7-(2,3-dihydroxypropyl), 8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C16H19N5O4 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | -0.4695 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.1437 |
| Heavy Atoms | 25 |
| Complexity | 1018.9116 |
Chemical Identifiers
| CAS Number | 78960-47-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=CC=C3)CC(CO)O |
Product Overview
8-Anilino-7-(2,3-dihydroxypropyl)theophylline (CAS 78960-47-1), with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol. IUPAC: 8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline
Property Insights of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline
The XLogP value of -0.4695 indicates that 8-Anilino-7-(2,3-dihydroxypropyl)theophylline 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 8-Anilino-7-(2,3-dihydroxypropyl)theophylline. Following Lipinski's Rule of Five, 8-Anilino-7-(2,3-dihydroxypropyl)theophylline 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 8-Anilino-7-(2,3-dihydroxypropyl)theophylline?
The CAS number of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline is 78960-47-1.
What is the molecular formula of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline?
The molecular formula of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline is C16H19N5O4.
What is the molecular weight of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline?
The molecular weight of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline is 345.14 g/mol.
Where can I buy 8-Anilino-7-(2,3-dihydroxypropyl)theophylline?
You can request a quote for 8-Anilino-7-(2,3-dihydroxypropyl)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Anilino-7-(2,3-dihydroxypropyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Anilino-7-(2,3-dihydroxypropyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.