Brivudine
TL;DR: Brivudine (CAS 82768-44-3) is a chemical compound with molecular formula C11H13BrN2O5 and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: Brivudine, BVDU, Brivudin, Helpin, Zostex
| Molecular Formula | C11H13BrN2O5 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0008 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 82768-44-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O |
| InChIKey | ODZBBRURCPAEIQ-PIXDULNESA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brivudine (CAS 82768-44-3), with molecular formula C11H13BrN2O5 and molecular weight 332.00 g/mol. IUPAC: 5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of Brivudine
Property Insights of Brivudine
The XLogP value of -0.4 indicates that Brivudine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Brivudine. Following Lipinski's Rule of Five, Brivudine has 3 hydrogen bond donor(s) and 5 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 Brivudine?
The CAS number of Brivudine is 82768-44-3.
What is the molecular formula of Brivudine?
The molecular formula of Brivudine is C11H13BrN2O5.
What is the molecular weight of Brivudine?
The molecular weight of Brivudine is 332.00 g/mol.
Where can I buy Brivudine?
You can request a quote for Brivudine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brivudine?
Yes, KEHONG BIO provides custom synthesis services for Brivudine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.