6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate
TL;DR: 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate (CAS 90269-31-1) is a chemical compound with molecular formula C14H16BrN4O9PS and molecular weight 525.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5S)-5-[6-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Bdb-tamp, 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate, 5'-Inosinic acid, 6-S-(4-bromo-2,3-dioxobutyl)-6-thio-, [(2R,3S,4R,5S)-5-[6-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, 1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio)-2,3-butanedione
| Molecular Formula | C14H16BrN4O9PS |
|---|---|
| Molecular Weight | 525.96 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 525.9559 |
| Heavy Atoms | 30 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 90269-31-1 |
|---|---|
| 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)O)O)O |
| InChIKey | LNZMNGVFZNPYKL-PYUPQCDSSA-N |
Product Overview
6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate (CAS 90269-31-1), with molecular formula C14H16BrN4O9PS and molecular weight 525.96 g/mol. IUPAC: [(2R,3S,4R,5S)-5-[6-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate
Property Insights of 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate
The XLogP value of -2.1 indicates that 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate has 4 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-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate?
The CAS number of 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate is 90269-31-1.
What is the molecular formula of 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate?
The molecular formula of 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate is C14H16BrN4O9PS.
What is the molecular weight of 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate?
The molecular weight of 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate is 525.96 g/mol.
Where can I buy 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate?
You can request a quote for 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.