![3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/6743/674331-20-5.webp)
3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674331-20-5) is a chemical compound with molecular formula C22H27N9O2S and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylpiperidin-1-yl)-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
Also Known As: 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-8-(4-methyl-1-piperidyl)-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione, 3-methyl-8-(4-methylpiperidin-1-yl)-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione
| Molecular Formula | C22H27N9O2S |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 1.8177 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.20084 |
| Heavy Atoms | 34 |
| Complexity | 1397.5121 |
Chemical Identifiers
| CAS Number | 674331-20-5 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NC3=C(N2CCCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C |
Product Overview
3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674331-20-5), with molecular formula C22H27N9O2S and molecular weight 481.20 g/mol. IUPAC: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 1.8177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 8 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-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 674331-20-5.
What is the molecular formula of 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C22H27N9O2S.
What is the molecular weight of 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 481.20 g/mol.
Where can I buy 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-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-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-(4-methylpiperidin-1-yl)-7-{3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.