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, 溴夫定 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 溴夫定?
The CAS number of 溴夫定 is 69304-47-8.
What is the molecular formula of 溴夫定?
The molecular formula of 溴夫定 is C11H13BrN2O5.
What is the molecular weight of 溴夫定?
The molecular weight of 溴夫定 is 332.00 g/mol.
Where can I buy 溴夫定?
You can request a quote for 溴夫定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴夫定?
Yes, KEHONG BIO provides custom synthesis services for 溴夫定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.