![3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea structure](/static/products/7112/71120-20-2.webp)
3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea
TL;DR: 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea (CAS 71120-20-2) is a chemical compound with molecular formula C12H16N8O5 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea
Also Known As: 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea, 9-(3-Deoxy-3-{[methyl(nitroso)carbamoyl]amino}pentofuranosyl)-9H-purin-6-amine
| Molecular Formula | C12H16N8O5 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.12436 |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 71120-20-2 |
|---|---|
| SMILES | CN(C(=O)NC1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO)N=O |
| InChIKey | YSEFLAXSKCPVDC-UHFFFAOYSA-N |
Product Overview
3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea (CAS 71120-20-2), with molecular formula C12H16N8O5 and molecular weight 352.12 g/mol. IUPAC: 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea.
Chemical Property Profile of 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea
Property Insights of 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea
The XLogP value of -1.3 indicates that 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea has 4 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-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea?
The CAS number of 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea is 71120-20-2.
What is the molecular formula of 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea?
The molecular formula of 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea is C12H16N8O5.
What is the molecular weight of 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea?
The molecular weight of 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea is 352.12 g/mol.
Where can I buy 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea?
You can request a quote for 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-1-methyl-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.