5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine
TL;DR: 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine (CAS 117627-07-3) is a chemical compound with molecular formula C11H14BrN2O9P and molecular weight 427.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid
Also Known As: 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine, Phosphono-acetic acid 5-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl ester, 5-Bromo-1-[2-deoxy-5-O-(phosphonoacetyl)pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one, [2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-oxo-ethyl]phosphonic acid, [2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid
| Molecular Formula | C11H14BrN2O9P |
|---|---|
| Molecular Weight | 427.96 g/mol |
| LogP | -1.3316 |
| Topological Polar Surface Area | 168.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.96204 |
| Heavy Atoms | 24 |
| Complexity | 784.4344 |
Chemical Identifiers
| CAS Number | 117627-07-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COC(=O)CP(=O)(O)O)O |
Product Overview
5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine (CAS 117627-07-3), with molecular formula C11H14BrN2O9P and molecular weight 427.96 g/mol. IUPAC: [2-[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid.
Chemical Property Profile of 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine
Property Insights of 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine
The XLogP value of -1.3316 indicates that 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.15 Ų indicates high polarity, suggesting 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine has 4 hydrogen bond donor(s) and 7 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 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine?
The CAS number of 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine is 117627-07-3.
What is the molecular formula of 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine?
The molecular formula of 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine is C11H14BrN2O9P.
What is the molecular weight of 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine?
The molecular weight of 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine is 427.96 g/mol.
Where can I buy 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine?
You can request a quote for 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2'-deoxy-5'-O-(phosphonoacetyl)uridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.