2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate
TL;DR: 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate (CAS 6304-12-7) is a chemical compound with molecular formula C14H17BrN5O9PS and molecular weight 540.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-[6-amino-2-(4-bromo-2,3-dioxobutyl)sulfanylpurin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 2-Bdb-tamp, 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate, [(2R,3S,4R,5R)-5-[6-amino-2-(4-bromo-2,3-dioxobutyl)sulfanylpurin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, 5'-Adenylic acid, 2-((4-bromo-2,3-dioxobutyl)thio)-, 2-[(4-bromo-2,3-dioxobutyl)sulfanyl]-7-(5-o-phosphono-
| Molecular Formula | C14H17BrN5O9PS |
|---|---|
| Molecular Weight | 540.97 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.9668 |
| Heavy Atoms | 31 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 6304-12-7 |
|---|---|
| SMILES | C1=NC2=NC(=NC(=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)SCC(=O)C(=O)CBr |
| InChIKey | JFNRKQUEVPDMBJ-QYVSTXNMSA-N |
Product Overview
2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate (CAS 6304-12-7), with molecular formula C14H17BrN5O9PS and molecular weight 540.97 g/mol. IUPAC: [(2R,3S,4R,5R)-5-[6-amino-2-(4-bromo-2,3-dioxobutyl)sulfanylpurin-7-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate
Property Insights of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate
The XLogP value of -2.5 indicates that 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 246.0 Ų indicates high polarity, suggesting 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate?
The CAS number of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate is 6304-12-7.
What is the molecular formula of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate?
The molecular formula of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate is C14H17BrN5O9PS.
What is the molecular weight of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate?
The molecular weight of 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate is 540.97 g/mol.
Where can I buy 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate?
You can request a quote for 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.