3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine
TL;DR: 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine (CAS 149741-44-6) is a chemical compound with molecular formula C23H29N5O2 and molecular weight 407.23212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-aminophenyl)ethyl]-8-(dicyclopropylmethyl)-1-propyl-7H-purine-2,6-dione
Also Known As: 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-3-(2-(4-aminophenyl)ethyl)-8-(dicyclopropylmethyl)-1-propyl-, 3,7-Dihydro-3-(2-(4-aminophenyl)ethyl)-8-(dicyclopropylmethyl)-1-propyl-1H-purine-2,6-dione, 3-[2-(4-aminophenyl)ethyl]-8-(dicyclopropylmethyl)-1-propyl-7H-purine-2,6-dione, 3-[2-(4-Aminophenyl)ethyl]-8-(dicyclopropylmethyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C23H29N5O2 |
| Molecular Weight | 407.23212 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.23212 Da |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
| SMILES | CCCN1C(=O)C2=C(N=C(N2)C(C3CC3)C4CC4)N(C1=O)CCC5=CC=C(C=C5)N |
| InChIKey | KAXAWBLMJOQZRW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine
Property Insights of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine
The XLogP value of 5.0 indicates that 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine. Following Lipinski's Rule of Five, 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
The CAS number of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is 149741-44-6.
What is the molecular formula of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
The molecular formula of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is C23H29N5O2.
What is the molecular weight of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
The molecular weight of 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is 407.23212 g/mol.
Where can I buy 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
You can request a quote for 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
Yes, CoreyChem provides custom synthesis services for 3-(3-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.