BUdR-PFA
TL;DR: BUdR-PFA (CAS 117652-20-7) is a chemical compound with molecular formula C10H12BrN2O9P and molecular weight 413.94638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
Also Known As: BUdR-PFA, [[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid, [[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[5-O-(carboxyhydroxyphosphinyl)-2-deoxy-.beta.-D-erythro-pentofuranosyl]-
Technical Specifications
| Molecular Formula | C10H12BrN2O9P |
| Molecular Weight | 413.94638 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.94638 Da |
| Heavy Atoms | 23 |
| Complexity | 623.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(C(=O)O)O)O |
| InChIKey | HPYYNJHETYNWMU-RRKCRQDMSA-N |
Chemical Property Profile of BUdR-PFA
Property Insights of BUdR-PFA
The XLogP value of -1.6 indicates that BUdR-PFA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting BUdR-PFA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BUdR-PFA has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BUdR-PFA?
The CAS number of BUdR-PFA is 117652-20-7.
What is the molecular formula of BUdR-PFA?
The molecular formula of BUdR-PFA is C10H12BrN2O9P.
What is the molecular weight of BUdR-PFA?
The molecular weight of BUdR-PFA is 413.94638 g/mol.
Where can I buy BUdR-PFA?
You can request a quote for BUdR-PFA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BUdR-PFA?
Yes, CoreyChem provides custom synthesis services for BUdR-PFA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.