(3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate
TL;DR: (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate (CAS 36097-68-4) is a chemical compound with molecular formula C20H25BrN6O11P2 and molecular weight 666.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[4-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate
Also Known As: (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[4-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate, 5'-o-{[({3-[4-(bromoacetyl)pyridinium-1-yl]propoxy}phosphinato)oxy](hydroxy)phosphoryl}adenosine, Adenosine 5'-(trihydrogen diphosphate), mono(3-(4-(bromoacetyl)pyridinio)propyl) ester, hydroxide, inner salt, Adenosine 5'-(trihydrogen diphosphate), P'-(3-(4-(bromoacetyl)pyridinio)propyl) ester, inner salt
| Molecular Formula | C20H25BrN6O11P2 |
|---|---|
| Molecular Weight | 666.02 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 666.024 |
| Heavy Atoms | 40 |
| Complexity | 958.0 |
Chemical Identifiers
| CAS Number | 36097-68-4 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C(=O)CBr)CCCOP(=O)([O-])OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | TVGJSGTUHNIVQU-WVSUBDOOSA-N |
Product Overview
(3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate (CAS 36097-68-4), with molecular formula C20H25BrN6O11P2 and molecular weight 666.02 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-[4-(2-bromoacetyl)pyridin-1-ium-1-yl]propyl phosphate.
Chemical Property Profile of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate
Property Insights of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate
The XLogP value of -2.6 indicates that (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate?
The CAS number of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate is 36097-68-4.
What is the molecular formula of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate?
The molecular formula of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate is C20H25BrN6O11P2.
What is the molecular weight of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate?
The molecular weight of (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate is 666.02 g/mol.
Where can I buy (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate?
You can request a quote for (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate?
Yes, KEHONG BIO provides custom synthesis services for (3-(4-Bromoacetylpyridinio)propyl)adenosine pyrophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.