3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
TL;DR: 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione (CAS 674815-99-7) is a chemical compound with molecular formula C18H23N7O2S and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: BAS 07401718, UPCMLD0ENAT5730439:001, 3-methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione, 3-methyl-8-piperidyl-7-(3-pyrimidin-2-ylthiopropyl)-1,3,7-trihydropurine-2,6-d ione, 3-methyl-8-(piperidin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H23N7O2S |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 1.386 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1634 |
| Heavy Atoms | 28 |
| Complexity | 1067.213 |
Chemical Identifiers
| CAS Number | 674815-99-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCCSC4=NC=CC=N4 |
Product Overview
3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione (CAS 674815-99-7), with molecular formula C18H23N7O2S and molecular weight 401.16 g/mol. IUPAC: 3-methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Property Insights of 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
The XLogP value of 1.386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)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 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
The CAS number of 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione is 674815-99-7.
What is the molecular formula of 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
The molecular formula of 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione is C18H23N7O2S.
What is the molecular weight of 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
The molecular weight of 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione is 401.16 g/mol.
Where can I buy 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
You can request a quote for 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)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-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-piperidin-1-yl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.