8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione (CAS 714940-47-3) is a chemical compound with molecular formula C22H28N10O2S and molecular weight 496.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
Also Known As: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione, 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-{3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H28N10O2S |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | 0.7233 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.21173 |
| Heavy Atoms | 35 |
| Complexity | 1415.7784 |
Chemical Identifiers
| CAS Number | 714940-47-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C |
Product Overview
8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione (CAS 714940-47-3), with molecular formula C22H28N10O2S and molecular weight 496.21 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione.
Chemical Property Profile of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.7233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 9 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-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione is 714940-47-3.
What is the molecular formula of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione is C22H28N10O2S.
What is the molecular weight of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione is 496.21 g/mol.
Where can I buy 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-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-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.