((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
TL;DR: ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate (CAS 165047-01-8) is a chemical compound with molecular formula C18H19BrN2O8S and molecular weight 502.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R)-4-bromo-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate
Also Known As: ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate, 5-BENZOYL-3ETHANESULFONYL-2ROMOTHYMIDINE, 5'-BENZOYL-3-ETHANESULFONYL-2-BROMOTHYMIDINE, [(2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate, URIDINE, 2'-BROMO-2'-DEOXY-5-METHYL-, 5'-BENZOATE 3'-METHANESULFONATE
| Molecular Formula | C18H19BrN2O8S |
|---|---|
| Molecular Weight | 502.00 g/mol |
| LogP | 0.70772 |
| Topological Polar Surface Area | 133.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.00455 |
| Heavy Atoms | 30 |
| Complexity | 1144.7666 |
Chemical Identifiers
| CAS Number | 165047-01-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OS(=O)(=O)C)Br |
Product Overview
((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate (CAS 165047-01-8), with molecular formula C18H19BrN2O8S and molecular weight 502.00 g/mol. IUPAC: [(2R,3R,4R,5R)-4-bromo-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate.
Chemical Property Profile of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
Property Insights of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate
The XLogP value of 0.70772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate. The TPSA of 133.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate. Following Lipinski's Rule of Five, ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate?
The CAS number of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate is 165047-01-8.
What is the molecular formula of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate?
The molecular formula of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate is C18H19BrN2O8S.
What is the molecular weight of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate?
The molecular weight of ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate is 502.00 g/mol.
Where can I buy ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate?
You can request a quote for ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.