3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
TL;DR: 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione (CAS 716331-97-4) is a chemical compound with molecular formula C15H18N6O2S and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
Also Known As: 3-methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione, 3-methyl-7-pentyl-8-(pyrimidin-2-ylthio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-pentyl-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione, 3-methyl-7-pentyl-8-(pyrimidin-2-ylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 6-hydroxy-3-methyl-7-pentyl-8-(pyrimidin-2-ylsulfanyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C15H18N6O2S |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1212 |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 716331-97-4 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SC3=NC=CC=N3)N(C(=O)NC2=O)C |
| InChIKey | MFKJFPPAYPUYDU-UHFFFAOYSA-N |
Product Overview
3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione (CAS 716331-97-4), with molecular formula C15H18N6O2S and molecular weight 346.12 g/mol. IUPAC: 3-methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
Property Insights of 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione has 1 hydrogen bond donor(s) and 6 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-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione?
The CAS number of 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione is 716331-97-4.
What is the molecular formula of 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione?
The molecular formula of 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione is C15H18N6O2S.
What is the molecular weight of 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione?
The molecular weight of 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione is 346.12 g/mol.
Where can I buy 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione?
You can request a quote for 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-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-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.