2-Bromo-2'-deoxyadenosine triphosphate
TL;DR: 2-Bromo-2'-deoxyadenosine triphosphate (CAS 106867-29-2) is a chemical compound with molecular formula C10H15BrN5O12P3 and molecular weight 568.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 2-Bromo-datp, 2-Bromo-2'-deoxyadenosine triphosphate, [[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, Adenosine, 5'-(tetrahydrogen triphosphate)- 2-bromo-2'-deoxy-, [(2r,3s,5s)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
| Molecular Formula | C10H15BrN5O12P3 |
|---|---|
| Molecular Weight | 568.91 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.9113 |
| Heavy Atoms | 31 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 106867-29-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@@H]1N2C=NC3=C(N=C(N=C32)Br)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | FLYRFEYNGPLUFC-JKUQZMGJSA-N |
Product Overview
2-Bromo-2'-deoxyadenosine triphosphate (CAS 106867-29-2), with molecular formula C10H15BrN5O12P3 and molecular weight 568.91 g/mol. IUPAC: [[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 2-Bromo-2'-deoxyadenosine triphosphate
Property Insights of 2-Bromo-2'-deoxyadenosine triphosphate
The XLogP value of -3.0 indicates that 2-Bromo-2'-deoxyadenosine triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting 2-Bromo-2'-deoxyadenosine triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Bromo-2'-deoxyadenosine triphosphate has 6 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 2-Bromo-2'-deoxyadenosine triphosphate?
The CAS number of 2-Bromo-2'-deoxyadenosine triphosphate is 106867-29-2.
What is the molecular formula of 2-Bromo-2'-deoxyadenosine triphosphate?
The molecular formula of 2-Bromo-2'-deoxyadenosine triphosphate is C10H15BrN5O12P3.
What is the molecular weight of 2-Bromo-2'-deoxyadenosine triphosphate?
The molecular weight of 2-Bromo-2'-deoxyadenosine triphosphate is 568.91 g/mol.
Where can I buy 2-Bromo-2'-deoxyadenosine triphosphate?
You can request a quote for 2-Bromo-2'-deoxyadenosine triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2'-deoxyadenosine triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2'-deoxyadenosine triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.