![1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea structure](/static/products/7112/71120-27-9.webp)
1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea
TL;DR: 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea (CAS 71120-27-9) is a chemical compound with molecular formula C12H17N7O4 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea
Also Known As: 1-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea, 9-{5-Deoxy-5-[(methylcarbamoyl)amino]pentofuranosyl}-9H-purin-6-amine
| Molecular Formula | C12H17N7O4 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.13422 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 71120-27-9 |
|---|---|
| SMILES | CNC(=O)NCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | JJYRPJAUTBJATI-UHFFFAOYSA-N |
Product Overview
1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea (CAS 71120-27-9), with molecular formula C12H17N7O4 and molecular weight 323.13 g/mol. IUPAC: 1-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea.
Chemical Property Profile of 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea
Property Insights of 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea
The XLogP value of -1.2 indicates that 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea has 5 hydrogen bond donor(s) and 8 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 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea?
The CAS number of 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea is 71120-27-9.
What is the molecular formula of 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea?
The molecular formula of 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea is C12H17N7O4.
What is the molecular weight of 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea?
The molecular weight of 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea is 323.13 g/mol.
Where can I buy 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea?
You can request a quote for 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.