溴夫定一磷酸酯
TL;DR: 溴夫定一磷酸酯 (CAS 80860-82-8) is a chemical compound with molecular formula C11H14BrN2O8P and molecular weight 411.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴夫定一磷酸酯
[(2R,3S,5R)-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Brivudine monophosphate, Bvdu 5'-monophosphate, 5'-Uridylic acid, 5-((1E)-2-bromoethenyl)-2'-deoxy-, 5'-Uridylic acid, 5-[(1E)-2-bromoethenyl]-2'-deoxy-
| Molecular Formula | C11H14BrN2O8P |
|---|---|
| Molecular Weight | 411.97 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.9671 |
| Heavy Atoms | 23 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 80860-82-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CBr)COP(=O)(O)O)O |
| InChIKey | LKWCVKAHHUJPQO-DJLDLDEBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴夫定一磷酸酯 (CAS 80860-82-8), with molecular formula C11H14BrN2O8P and molecular weight 411.97 g/mol. IUPAC: [(2R,3S,5R)-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 溴夫定一磷酸酯
Property Insights of 溴夫定一磷酸酯
The XLogP value of -2.1 indicates that 溴夫定一磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 溴夫定一磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 溴夫定一磷酸酯 has 4 hydrogen bond donor(s) and 8 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 溴夫定一磷酸酯?
The CAS number of 溴夫定一磷酸酯 is 80860-82-8.
What is the molecular formula of 溴夫定一磷酸酯?
The molecular formula of 溴夫定一磷酸酯 is C11H14BrN2O8P.
What is the molecular weight of 溴夫定一磷酸酯?
The molecular weight of 溴夫定一磷酸酯 is 411.97 g/mol.
Where can I buy 溴夫定一磷酸酯?
You can request a quote for 溴夫定一磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴夫定一磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 溴夫定一磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.