![8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/6723/672331-11-2.webp)
8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 672331-11-2) is a chemical compound with molecular formula C25H29N7O2S and molecular weight 491.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(4-benzyl-1-piperidyl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
| Molecular Formula | C25H29N7O2S |
|---|---|
| Molecular Weight | 491.21 g/mol |
| LogP | 2.8548 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.21036 |
| Heavy Atoms | 35 |
| Complexity | 1390.6055 |
Chemical Identifiers
| CAS Number | 672331-11-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCCSC5=NC=CC=N5 |
Product Overview
8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 672331-11-2), with molecular formula C25H29N7O2S and molecular weight 491.21 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.8548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 7 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-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 672331-11-2.
What is the molecular formula of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C25H29N7O2S.
What is the molecular weight of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 491.21 g/mol.
Where can I buy 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)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 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)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.