3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione
TL;DR: 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione (CAS 673442-52-9) is a chemical compound with molecular formula C17H21N7O2S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 07401711, UPCMLD0ENAT5730404:001, 3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione, 3-methyl-7-(3-pyrimidin-2-ylthiopropyl)-8-pyrrolidinyl-1,3,7-trihydropurine-2, 6-dione
| Molecular Formula | C17H21N7O2S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 0.9959 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.14774 |
| Heavy Atoms | 27 |
| Complexity | 1050.8146 |
Chemical Identifiers
| CAS Number | 673442-52-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCCSC4=NC=CC=N4 |
Product Overview
3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione (CAS 673442-52-9), with molecular formula C17H21N7O2S and molecular weight 387.15 g/mol. IUPAC: 3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione
Property Insights of 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione
The XLogP value of 0.9959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-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-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
The CAS number of 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione is 673442-52-9.
What is the molecular formula of 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
The molecular formula of 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione is C17H21N7O2S.
What is the molecular weight of 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
The molecular weight of 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione is 387.15 g/mol.
Where can I buy 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
You can request a quote for 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-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-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.