![[3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate structure](/static/products/7858/78586-33-1.webp)
[3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate
TL;DR: [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate (CAS 78586-33-1) is a chemical compound with molecular formula C16H17ClN4O7 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate
Also Known As: [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate|4-Chloro-1-(2,3,5-tri-O-acetylpentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C16H17ClN4O7 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.07858 |
| Heavy Atoms | 28 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 78586-33-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C(=NC=N3)Cl)OC(=O)C)OC(=O)C |
| InChIKey | KLSQBFLMHYAVIH-UHFFFAOYSA-N |
Product Overview
[3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate (CAS 78586-33-1), with molecular formula C16H17ClN4O7 and molecular weight 412.08 g/mol. IUPAC: [3,4-diacetyloxy-5-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate
Property Insights of [3,4-diacetyloxy-5-(4-chloropyrazolo[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-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate. Following Lipinski's Rule of Five, [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 10 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 [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate?
The CAS number of [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate is 78586-33-1.
What is the molecular formula of [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate?
The molecular formula of [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate is C16H17ClN4O7.
What is the molecular weight of [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate?
The molecular weight of [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate is 412.08 g/mol.
Where can I buy [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate?
You can request a quote for [3,4-diacetyloxy-5-(4-chloropyrazolo[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-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-diacetyloxy-5-(4-chloropyrazolo[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.