1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine
TL;DR: 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine (CAS 89580-96-1) is a chemical compound with molecular formula C9H12N4O7 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] nitrate
Also Known As: Nitrara-C, 1- cytosine, 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine, 1-(2-O-nitro-, A-D-arabinofuranosyl)cytosine
| Molecular Formula | C9H12N4O7 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0706 |
| Heavy Atoms | 20 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 89580-96-1 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O[N+](=O)[O-] |
| InChIKey | JOHUQOHTIZCLLJ-CCXZUQQUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine (CAS 89580-96-1), with molecular formula C9H12N4O7 and molecular weight 288.07 g/mol. IUPAC: [(2R,3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] nitrate.
Chemical Property Profile of 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine
Property Insights of 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine
The XLogP value of -1.2 indicates that 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine has 3 hydrogen bond donor(s) and 7 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-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine?
The CAS number of 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine is 89580-96-1.
What is the molecular formula of 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine?
The molecular formula of 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine is C9H12N4O7.
What is the molecular weight of 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine?
The molecular weight of 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine is 288.07 g/mol.
Where can I buy 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine?
You can request a quote for 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-O-Nitro-beta-D-arabinofuranosyl)cytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.