![methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate structure](/static/products/5555/55559-50-7.webp)
methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate
TL;DR: methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate (CAS 55559-50-7) is a chemical compound with molecular formula C12H16N6O5 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate
Also Known As: methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate, 1H-Pyrazolo[3, 4-amino-1-.beta.-D-ribofuranosyl-, methyl ester, monohydrate, Methyl 4-amino-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidate
| Molecular Formula | C12H16N6O5 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.11823 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 55559-50-7 |
|---|---|
| SMILES | COC(=N)C1=NN(C2=NC=NC(=C12)N)C3C(C(C(O3)CO)O)O |
| InChIKey | OPRYQXPPNHIJMC-UHFFFAOYSA-N |
Product Overview
methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate (CAS 55559-50-7), with molecular formula C12H16N6O5 and molecular weight 324.12 g/mol. IUPAC: methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate.
Chemical Property Profile of methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate
Property Insights of methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate
The XLogP value of -1.5 indicates that methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate has 5 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 methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate?
The CAS number of methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate is 55559-50-7.
What is the molecular formula of methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate?
The molecular formula of methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate is C12H16N6O5.
What is the molecular weight of methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate?
The molecular weight of methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate is 324.12 g/mol.
Where can I buy methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate?
You can request a quote for methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.