溴夫定
TL;DR: 溴夫定 (CAS 69304-47-8) 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.
溴夫定
5-(2-bromoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: Brivudine, BVDU, VX-809 (Lumacaftor), L-5-(bromovinyl)deoxyuridine, (E)-5-(2-Bromovinyl)-2'-deoxyuridine
| 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 | 69304-47-8 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O |
| InChIKey | ODZBBRURCPAEIQ-UHFFFAOYSA-N |
Product Overview
溴夫定 (CAS 69304-47-8), with molecular formula C11H13BrN2O5 and molecular weight 332.00 g/mol. IUPAC: 5-(2-bromoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 溴夫定
Property Insights of 溴夫定
The XLogP value of -0.4 indicates that 溴夫定 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 溴夫定. 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 69304-47-8.
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.