7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine
TL;DR: 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine (CAS 105522-59-6) is a chemical compound with molecular formula C23H25N5O4 and molecular weight 435.19064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Also Known As: 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-hydroxyethyl)(phenylmethyl)amino)-3-methyl-7-(2-phenoxyethyl)-, 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione, 1H-Purine-2,6-dione,3,7-dihydro-8-[(2-hydroxyethyl)(phenylmethyl)amino]-3-methyl-7-(2-phenoxyethyl)-, 1H-Purine-2,6-dione,3,7-dihydro-8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)
Technical Specifications
| Molecular Formula | C23H25N5O4 |
| Molecular Weight | 435.19064 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.19064 Da |
| Heavy Atoms | 32 |
| Complexity | 638.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CCOC4=CC=CC=C4 |
| InChIKey | MABPROHCVFOXIW-UHFFFAOYSA-N |
Chemical Property Profile of 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine
Property Insights of 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine. Following Lipinski's Rule of Five, 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine has 2 hydrogen bond donor(s) and 6 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-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine?
The CAS number of 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine is 105522-59-6.
What is the molecular formula of 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine?
The molecular formula of 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine is C23H25N5O4.
What is the molecular weight of 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine?
The molecular weight of 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine is 435.19064 g/mol.
Where can I buy 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine?
You can request a quote for 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine?
Yes, CoreyChem provides custom synthesis services for 7-(2-Phenoxyethyl)-8-(N-(2-hydroxyethyl)benzylamino)-3-methylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.