8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate
TL;DR: 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate (CAS 115678-79-0) is a chemical compound with molecular formula C14H19BrN5O15P3S and molecular weight 700.90 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-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 8-Bdb-tatp, 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate, [[(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 8-((4-bromo-2,3-dioxobutyl)thio)adenosine 5/'-triphosphate, (((2R,3S,4R,5R)-5-(6-Amino-8-((4-bromo-2,3-dioxobutyl)thio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
| Molecular Formula | C14H19BrN5O15P3S |
|---|---|
| Molecular Weight | 700.90 g/mol |
| LogP | -1.0038 |
| Topological Polar Surface Area | 313.27 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 700.8995 |
| Heavy Atoms | 39 |
| Complexity | 1405.3727 |
Chemical Identifiers
| CAS Number | 115678-79-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C(=N2)SCC(=O)C(=O)CBr)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N |
Product Overview
8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate (CAS 115678-79-0), with molecular formula C14H19BrN5O15P3S and molecular weight 700.90 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate
Property Insights of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate
The XLogP value of -1.0038 indicates that 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 313.27 Ų indicates high polarity, suggesting 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate?
The CAS number of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate is 115678-79-0.
What is the molecular formula of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate?
The molecular formula of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate is C14H19BrN5O15P3S.
What is the molecular weight of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate?
The molecular weight of 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate is 700.90 g/mol.
Where can I buy 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate?
You can request a quote for 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.