![[3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate structure](/static/products/7858/78586-42-2.webp)
[3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
TL;DR: [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate (CAS 78586-42-2) is a chemical compound with molecular formula C20H21N7O9S and molecular weight 535.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[5,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Also Known As: [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate|4-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1-(2,3,5-tri-O-acetylpentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C20H21N7O9S |
|---|---|
| Molecular Weight | 535.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 535.1121 |
| Heavy Atoms | 37 |
| Complexity | 895.0 |
Chemical Identifiers
| CAS Number | 78586-42-2 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C(=NC=N3)SC4=C(N=CN4C)[N+](=O)[O-])OC(=O)C)OC(=O)C |
| InChIKey | JPWHWZQDFFKRHO-UHFFFAOYSA-N |
Product Overview
[3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate (CAS 78586-42-2), with molecular formula C20H21N7O9S and molecular weight 535.11 g/mol. IUPAC: [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[5,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate.
Chemical Property Profile of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Property Insights of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate. The TPSA of 221.0 Ų indicates high polarity, suggesting [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
The CAS number of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate is 78586-42-2.
What is the molecular formula of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
The molecular formula of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate is C20H21N7O9S.
What is the molecular weight of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
The molecular weight of [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate is 535.11 g/mol.
Where can I buy [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
You can request a quote for [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.