7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 378214-72-3) is a chemical compound with molecular formula C20H24N6O2 and molecular weight 380.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperazin-1-yl)-3-methyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 03041353, UPCMLD0ENAT5830785:001, 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0886-0110, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-prop-2-enylpurine-2,6-dione
| Molecular Formula | C20H24N6O2 |
|---|---|
| Molecular Weight | 380.20 g/mol |
| LogP | 0.9315 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.19608 |
| Heavy Atoms | 28 |
| Complexity | 1103.4117 |
Chemical Identifiers
| CAS Number | 378214-72-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC=C |
Product Overview
7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 378214-72-3), with molecular formula C20H24N6O2 and molecular weight 380.20 g/mol. IUPAC: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-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 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 378214-72-3.
What is the molecular formula of 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C20H24N6O2.
What is the molecular weight of 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 380.20 g/mol.
Where can I buy 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-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 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-8-(4-benzylpiperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.