![Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester structure](/static/products/959/959012-93-2.png)
Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester
TL;DR: Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester (CAS 959012-93-2) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylformate
Also Known As: o-ethyl s-1h-pyrazolo[3,4-d]pyrimidin-4-yl carbonothioate, ethyl 1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylformate, Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester, o-Ethyl S-(1H-pyrazolo[3,4-d]pyrimidin-4-yl) thiocarbonate #
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 959012-93-2 |
|---|---|
| SMILES | CCOC(=O)SC1=NC=NC2=C1C=NN2 |
| InChIKey | FUHKOHLOGOYALH-UHFFFAOYSA-N |
Product Overview
Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester (CAS 959012-93-2), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: ethyl 1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylformate.
Chemical Property Profile of Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester
Property Insights of Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester. Following Lipinski's Rule of Five, Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester 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 Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester?
The CAS number of Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester is 959012-93-2.
What is the molecular formula of Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester?
The molecular formula of Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester is C8H8N4O2S.
What is the molecular weight of Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester?
The molecular weight of Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester is 224.04 g/mol.
Where can I buy Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester?
You can request a quote for Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonothioic acid, O-ethyl S-1H-pyrazolo[3,4-d]pyrimidin-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.