6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate
TL;DR: 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate (CAS 90269-32-2) is a chemical compound with molecular formula C14H17BrN4O12P2S and molecular weight 605.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-[6-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Also Known As: Bdb-tadp, BDTD, 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate, 6-(4-Bromo-2,3-dioxobutyl)thioadenosine 5'-diphosphate, [(2R,3S,4R,5R)-5-[6-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
| Molecular Formula | C14H17BrN4O12P2S |
|---|---|
| Molecular Weight | 605.92 g/mol |
| LogP | -0.703 |
| Topological Polar Surface Area | 240.72 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 605.92224 |
| Heavy Atoms | 34 |
| Complexity | 1176.7611 |
Chemical Identifiers
| CAS Number | 90269-32-2 |
|---|---|
| SMILES | C1=NC2=C(C(=N1)SCC(=O)C(=O)CBr)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O |
Product Overview
6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate (CAS 90269-32-2), with molecular formula C14H17BrN4O12P2S and molecular weight 605.92 g/mol. IUPAC: [(2R,3S,4R,5R)-5-[6-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Chemical Property Profile of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate
Property Insights of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate
The XLogP value of -0.703 indicates that 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.72 Ų indicates high polarity, suggesting 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate?
The CAS number of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate is 90269-32-2.
What is the molecular formula of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate?
The molecular formula of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate is C14H17BrN4O12P2S.
What is the molecular weight of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate?
The molecular weight of 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate is 605.92 g/mol.
Where can I buy 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate?
You can request a quote for 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.