![3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol structure](/static/products/888/88801-90-5.png)
3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
TL;DR: 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol (CAS 88801-90-5) is a chemical compound with molecular formula C11H16N6O3S and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-amino-7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Also Known As: 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol, 3-(5-Amino-7-methylsulfanyl-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-hydroxymethyl-cyclopentane-1,2-diol, 3-(5-Amino-7-methylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-hydroxymethyl-cyclopentane-1,2-diol, 3-(5-amino-7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol, 3-(Hydroxymethyl)-5-[5-imino-7-(methylsulfanyl)-4,5-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol
| Molecular Formula | C11H16N6O3S |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.10046 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 88801-90-5 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)CO)N |
| InChIKey | FYUBOHSLQPXGKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol (CAS 88801-90-5), with molecular formula C11H16N6O3S and molecular weight 312.10 g/mol. IUPAC: 3-(5-amino-7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol.
Chemical Property Profile of 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Property Insights of 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
The XLogP value of -0.8 indicates that 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol has 4 hydrogen bond donor(s) and 9 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-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The CAS number of 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol is 88801-90-5.
What is the molecular formula of 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The molecular formula of 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol is C11H16N6O3S.
What is the molecular weight of 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The molecular weight of 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol is 312.10 g/mol.
Where can I buy 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
You can request a quote for 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.