![2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol structure](/static/products/5345/53458-38-1.webp)
2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
TL;DR: 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-38-1) is a chemical compound with molecular formula C12H17N5O3S and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Also Known As: S-ethyl-2-fluoro-5'-thio-adenosine, 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol, 1-(5-S-Ethyl-5-thiopentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 2-(5-amino-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
| Molecular Formula | C12H17N5O3S |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.10522 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 53458-38-1 |
|---|---|
| SMILES | CCSCC1C(C(C(O1)N2C3=NC=NC(=C3C=N2)N)O)O |
| InChIKey | SPGNHZWDSWMMEC-UHFFFAOYSA-N |
Product Overview
2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-38-1), with molecular formula C12H17N5O3S and molecular weight 311.11 g/mol. IUPAC: 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Property Insights of 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
The XLogP value of -0.6 indicates that 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol has 3 hydrogen bond donor(s) and 8 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 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
The CAS number of 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol is 53458-38-1.
What is the molecular formula of 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
The molecular formula of 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol is C12H17N5O3S.
What is the molecular weight of 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
The molecular weight of 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol is 311.11 g/mol.
Where can I buy 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
You can request a quote for 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.