![8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione structure](/static/products/6729/672942-48-2.webp)
8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
TL;DR: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione (CAS 672942-48-2) is a chemical compound with molecular formula C27H30N10O2S and molecular weight 558.23 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-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
Also Known As: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione, F1614-0070, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[3-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))propyl]-8-[4-benzylpiperaz inyl]-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C27H30N10O2S |
|---|---|
| Molecular Weight | 558.23 g/mol |
| LogP | 1.9036 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 558.2274 |
| Heavy Atoms | 40 |
| Complexity | 1702.499 |
Chemical Identifiers
| CAS Number | 672942-48-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCCSC5=NN=NN5C6=CC=CC=C6 |
Product Overview
8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione (CAS 672942-48-2), with molecular formula C27H30N10O2S and molecular weight 558.23 g/mol. IUPAC: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione.
Chemical Property Profile of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
Property Insights of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
The XLogP value of 1.9036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione?
The CAS number of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione is 672942-48-2.
What is the molecular formula of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione?
The molecular formula of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione is C27H30N10O2S.
What is the molecular weight of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione?
The molecular weight of 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione is 558.23 g/mol.
Where can I buy 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione?
You can request a quote for 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]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 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.