2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate
TL;DR: 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate (CAS 110356-02-0) is a chemical compound with molecular formula C13H18BrN5O11P2S and molecular weight 592.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S,3S,5R)-5-[6-amino-2-(3-bromo-2-oxopropyl)sulfanylpurin-9-yl]-3-hydroxyoxolan-2-yl]-phosphonooxymethyl] dihydrogen phosphate
Also Known As: Bop-tabp, 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate, [[(2S,3S,5R)-5-[6-amino-2-(3-bromo-2-oxopropyl)sulfanylpurin-9-yl]-3-hydroxyoxolan-2-yl]-phosphonooxymethyl] dihydrogen phosphate, 2'-Adenylic acid, 2-((3-bromo-2-oxopropyl)thio)-, 5'-(dihydrogen phosphate), [(2S,3S,5R)-5-{6-Amino-2-[(3-bromo-2-oxopropyl)sulfanyl]-9H-purin-9-yl}-3-hydroxyoxolan-2-yl]methylene bis[dihydrogen (phosphate)]
| Molecular Formula | C13H18BrN5O11P2S |
|---|---|
| Molecular Weight | 592.94 g/mol |
| LogP | -0.3423 |
| Topological Polar Surface Area | 249.67 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 592.93823 |
| Heavy Atoms | 33 |
| Complexity | 1101.5895 |
Chemical Identifiers
| CAS Number | 110356-02-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)SCC(=O)CBr)N)C(OP(=O)(O)O)OP(=O)(O)O)O |
Product Overview
2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate (CAS 110356-02-0), with molecular formula C13H18BrN5O11P2S and molecular weight 592.94 g/mol. IUPAC: [[(2S,3S,5R)-5-[6-amino-2-(3-bromo-2-oxopropyl)sulfanylpurin-9-yl]-3-hydroxyoxolan-2-yl]-phosphonooxymethyl] dihydrogen phosphate.
Chemical Property Profile of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate
Property Insights of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate
The XLogP value of -0.3423 indicates that 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.67 Ų indicates high polarity, suggesting 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate?
The CAS number of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate is 110356-02-0.
What is the molecular formula of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate?
The molecular formula of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate is C13H18BrN5O11P2S.
What is the molecular weight of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate?
The molecular weight of 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate is 592.94 g/mol.
Where can I buy 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate?
You can request a quote for 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.