8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate
TL;DR: 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate (CAS 115678-78-9) is a chemical compound with molecular formula C14H18BrN5O12P2S and molecular weight 620.9331 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: 8-Bdb-tadp, 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate, [(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, 8-((4-bromo-2,3-dioxobutyryl)thio)adenosine 5/'diphosphate, 8-[(4-Bromo-2,3-dioxobutyl)thio]adenosine 5 -diphosphoric acid
Technical Specifications
| Molecular Formula | C14H18BrN5O12P2S |
| Molecular Weight | 620.9331 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 292.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 620.9331 Da |
| Heavy Atoms | 35 |
| Complexity | 902.0 |
| 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)O)O)O)N |
| InChIKey | XCWZPSOJYVIEHY-QYVSTXNMSA-N |
Chemical Property Profile of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate
Property Insights of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate
The XLogP value of -3.6 indicates that 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 292.0 Ų indicates high polarity, suggesting 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate?
The CAS number of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate is 115678-78-9.
What is the molecular formula of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate?
The molecular formula of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate is C14H18BrN5O12P2S.
What is the molecular weight of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate?
The molecular weight of 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate is 620.9331 g/mol.
Where can I buy 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate?
You can request a quote for 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate?
Yes, CoreyChem provides custom synthesis services for 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.