Netivudine
TL;DR: Netivudine (CAS 84558-93-0) is a chemical compound with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione
Also Known As: Zonavir, netivudina, PYaraU, netivudinum, 5-propynyl-araU
| Molecular Formula | C12H14N2O6 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08517 |
| Heavy Atoms | 20 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 84558-93-0 |
|---|---|
| SMILES | CC#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O |
| InChIKey | QLOCVMVCRJOTTM-SDNRWEOFSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Netivudine (CAS 84558-93-0), with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol. IUPAC: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione.
Chemical Property Profile of Netivudine
Property Insights of Netivudine
The XLogP value of -1.2 indicates that Netivudine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Netivudine. Following Lipinski's Rule of Five, Netivudine has 4 hydrogen bond donor(s) and 6 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 Netivudine?
The CAS number of Netivudine is 84558-93-0.
What is the molecular formula of Netivudine?
The molecular formula of Netivudine is C12H14N2O6.
What is the molecular weight of Netivudine?
The molecular weight of Netivudine is 282.09 g/mol.
Where can I buy Netivudine?
You can request a quote for Netivudine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Netivudine?
Yes, KEHONG BIO provides custom synthesis services for Netivudine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.