3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine
TL;DR: 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine (CAS 149744-75-2) is a chemical compound with molecular formula C23H29N5O3 and molecular weight 423.22705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl]acetamide
Also Known As: 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine, 6-(Benzyloxy)pyridine-2-carboxylic acid, Acetamide, N-(4-(2-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)ethyl)phenyl)-, N-[4-[2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)ethyl]phenyl]acetamide, N-(4-(2-(8-Cyclopentyl-2,6-dioxo-1-propyl-1H-purin-3(2H,6H,9H)-yl)ethyl)phenyl)acetamide
Technical Specifications
| Molecular Formula | C23H29N5O3 |
| Molecular Weight | 423.22705 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.22705 Da |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
| SMILES | CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)NC(=O)C |
| InChIKey | XOFKHHZMYBONCM-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine
Property Insights of 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine
The XLogP value of 4.2 indicates that 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine. Following Lipinski's Rule of Five, 3-(4-Acetylaminophenethyl)-8-cyclopentyl 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-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine?
The CAS number of 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine is 149744-75-2.
What is the molecular formula of 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine?
The molecular formula of 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine is C23H29N5O3.
What is the molecular weight of 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine?
The molecular weight of 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine is 423.22705 g/mol.
Where can I buy 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine?
You can request a quote for 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine?
Yes, CoreyChem provides custom synthesis services for 3-(4-Acetylaminophenethyl)-8-cyclopentyl 1-propylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.