2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
TL;DR: 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol (CAS 64372-73-2) is a chemical compound with molecular formula C14H15N7O6S and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[5,4-d]pyrimidin-1-yl]oxolane-3,4-diol
Also Known As: 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol, 4-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C14H15N7O6S |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.08044 |
| Heavy Atoms | 28 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 64372-73-2 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=NC=NC3=C2C=NN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-] |
| InChIKey | UGSNFKXBTNHLBN-UHFFFAOYSA-N |
Product Overview
2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol (CAS 64372-73-2), with molecular formula C14H15N7O6S and molecular weight 409.08 g/mol. IUPAC: 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[5,4-d]pyrimidin-1-yl]oxolane-3,4-diol.
Chemical Property Profile of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
Property Insights of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
The XLogP value of -0.4 indicates that 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol?
The CAS number of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol is 64372-73-2.
What is the molecular formula of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol?
The molecular formula of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol is C14H15N7O6S.
What is the molecular weight of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol?
The molecular weight of 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol is 409.08 g/mol.
Where can I buy 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol?
You can request a quote for 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]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-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(hydroxymethyl)-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.