7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline
TL;DR: 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline (CAS 314-92-1) is a chemical compound with molecular formula C20H27N5O3 and molecular weight 385.2114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-(diethylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: F-methyl-4 dimethyl-5,7 coumarine, 7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline, Theophylline, 7-(2-diethylaminoethyl)-8-(alpha-hydroxybenzyl)-, 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline, 7-(2-diethylaminoethyl)-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C20H27N5O3 |
| Molecular Weight | 385.2114 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.2114 Da |
| Heavy Atoms | 28 |
| Complexity | 564.0 |
| SMILES | CCN(CC)CCN1C2=C(N=C1C(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C |
| InChIKey | PVEXGFAUDDOGQA-UHFFFAOYSA-N |
Product Description
Applications: 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline (CAS 314-92-1) is a fine chemical with the molecular formula C20H27N5O3 and a molecular weight of 385.21 g/mol. Synonyms include F-methyl-4 dimethyl-5,7 coumarine and 7-(beta-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline
Property Insights of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline. Following Lipinski's Rule of Five, 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline has 1 hydrogen bond donor(s) and 5 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-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline?
The CAS number of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline is 314-92-1.
What is the molecular formula of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline?
The molecular formula of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline is C20H27N5O3.
What is the molecular weight of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline?
The molecular weight of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline is 385.2114 g/mol.
What are the applications of 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline?
7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline?
You can request a quote for 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline?
Yes, CoreyChem provides custom synthesis services for 7-(2-Diethylaminoethyl)-8-(alpha-hydroxybenzyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.