8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 887030-39-9) is a chemical compound with molecular formula C21H26N6O2 and molecular weight 394.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-phenylethyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione
Also Known As: ASN 13117468, SDCCGSBI-0139681.P001, UPCMLD0ENAT5822359:001, F2636-0503, 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H26N6O2 |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 0.974 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.21173 |
| Heavy Atoms | 29 |
| Complexity | 1119.7642 |
Chemical Identifiers
| CAS Number | 887030-39-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CCC4=CC=CC=C4 |
Product Overview
8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione (CAS 887030-39-9), with molecular formula C21H26N6O2 and molecular weight 394.21 g/mol. IUPAC: 3-methyl-7-(2-phenylethyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-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 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 887030-39-9.
What is the molecular formula of 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is C21H26N6O2.
What is the molecular weight of 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione is 394.21 g/mol.
Where can I buy 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-allylpiperazin-1-yl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.