3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 685860-46-2) is a chemical compound with molecular formula C21H25N9O2S and molecular weight 467.19 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-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, AB00668493-01, F0570-0046, 3-methyl-8-(4-methylpiperidin-1-yl)-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione, 3-methyl-8-(4-methyl-1-piperidyl)-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
| Molecular Formula | C21H25N9O2S |
|---|---|
| Molecular Weight | 467.19 g/mol |
| LogP | 1.4276 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.18518 |
| Heavy Atoms | 33 |
| Complexity | 1380.4938 |
Chemical Identifiers
| CAS Number | 685860-46-2 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NC3=C(N2CCSC4=NN=NN4C5=CC=CC=C5)C(=O)NC(=O)N3C |
Product Overview
3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 685860-46-2), with molecular formula C21H25N9O2S and molecular weight 467.19 g/mol. IUPAC: 3-methyl-8-(4-methylpiperidin-1-yl)-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-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-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-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-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is 685860-46-2.
What is the molecular formula of 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is C21H25N9O2S.
What is the molecular weight of 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is 467.19 g/mol.
Where can I buy 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-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 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.