5-Nitro-2'-deoxyuridine
TL;DR: 5-Nitro-2'-deoxyuridine (CAS 3106-01-2) is a chemical compound with molecular formula C9H11N3O7 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidine-2,4-dione
Also Known As: 5-Nitro-2'-deoxyuridine, 2'-Deoxy-5-nitrouridine, 5-Nitro-dUrd, 5-nitro-deoxyuridine, 2 -Deoxy-5-nitrouridine
| Molecular Formula | C9H11N3O7 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0597 |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 3106-01-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])CO)O |
| InChIKey | USBZWPXQQCSGAV-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2'-deoxyuridine (CAS 3106-01-2), with molecular formula C9H11N3O7 and molecular weight 273.06 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidine-2,4-dione.
Chemical Property Profile of 5-Nitro-2'-deoxyuridine
Property Insights of 5-Nitro-2'-deoxyuridine
The XLogP value of -1.5 indicates that 5-Nitro-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 5-Nitro-2'-deoxyuridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitro-2'-deoxyuridine 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 5-Nitro-2'-deoxyuridine?
The CAS number of 5-Nitro-2'-deoxyuridine is 3106-01-2.
What is the molecular formula of 5-Nitro-2'-deoxyuridine?
The molecular formula of 5-Nitro-2'-deoxyuridine is C9H11N3O7.
What is the molecular weight of 5-Nitro-2'-deoxyuridine?
The molecular weight of 5-Nitro-2'-deoxyuridine is 273.06 g/mol.
Where can I buy 5-Nitro-2'-deoxyuridine?
You can request a quote for 5-Nitro-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.