3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
TL;DR: 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione (CAS 887030-41-3) is a chemical compound with molecular formula C22H28N6O2 and molecular weight 408.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 13117493, UPCMLD0ENAT5825055:001, 3-methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione, F2636-0528, 8-(4-allylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H28N6O2 |
|---|---|
| Molecular Weight | 408.23 g/mol |
| LogP | 1.3641 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.2274 |
| Heavy Atoms | 30 |
| Complexity | 1136.1295 |
Chemical Identifiers
| CAS Number | 887030-41-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CCCC4=CC=CC=C4 |
Product Overview
3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione (CAS 887030-41-3), with molecular formula C22H28N6O2 and molecular weight 408.23 g/mol. IUPAC: 3-methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
Property Insights of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
The XLogP value of 1.3641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione 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
Frequently Asked Questions
What is the CAS number of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione?
The CAS number of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione is 887030-41-3.
What is the molecular formula of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione?
The molecular formula of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione is C22H28N6O2.
What is the molecular weight of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione?
The molecular weight of 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione is 408.23 g/mol.
Where can I buy 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione?
You can request a quote for 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.