1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine
TL;DR: 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine (CAS 149741-45-7) is a chemical compound with molecular formula C23H29N5O2 and molecular weight 407.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-aminophenyl)ethyl]-8-(dicyclopropylmethyl)-3-propyl-7H-purine-2,6-dione
Also Known As: 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine, 1-8-dicyclopropylmethyl-1-propylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1-(2-(4-aminophenyl)ethyl)-8-(dicyclopropylmethyl)-1-propyl-, 1- -8-dicyclopropylmethyl-1-propylxanthine, 3,7-Dihydro-1-(2-(4-aminophenyl)ethyl)-8-(dicyclopropylmethyl)-1-propyl-1H-purine-2,6-dione
| Molecular Formula | C23H29N5O2 |
|---|---|
| Molecular Weight | 407.23 g/mol |
| LogP | 3.0248 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.23212 |
| Heavy Atoms | 30 |
| Complexity | 1167.2544 |
Chemical Identifiers
| CAS Number | 149741-45-7 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC3=CC=C(C=C3)N)NC(=N2)C(C4CC4)C5CC5 |
Product Overview
1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine (CAS 149741-45-7), with molecular formula C23H29N5O2 and molecular weight 407.23 g/mol. IUPAC: 1-[2-(4-aminophenyl)ethyl]-8-(dicyclopropylmethyl)-3-propyl-7H-purine-2,6-dione.
Chemical Property Profile of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine
Property Insights of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine
The XLogP value of 3.0248 indicates that 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine. Following Lipinski's Rule of Five, 1-(4-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
Frequently Asked Questions
What is the CAS number of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
The CAS number of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is 149741-45-7.
What is the molecular formula of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
The molecular formula of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is C23H29N5O2.
What is the molecular weight of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
The molecular weight of 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine is 407.23 g/mol.
Where can I buy 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
You can request a quote for 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminophenethyl)-8-dicyclopropylmethyl-1-propylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.