BzATP
TL;DR: BzATP (CAS 81790-82-1) is a chemical compound with molecular formula C24H24N5O15P3 and molecular weight 715.05 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)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate
Also Known As: BzATP, benzoylbenzoyl-ATP, 3'-O-(4-Benzoyl)benzoyl ATP, bbATP, 3'-O-(4-Benzoylbenzoyl)ATP
| Molecular Formula | C24H24N5O15P3 |
|---|---|
| Molecular Weight | 715.05 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 302.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 715.04816 |
| Heavy Atoms | 47 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 81790-82-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | AWJJLYZBWRIBCZ-UGTJMOTHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BzATP (CAS 81790-82-1), with molecular formula C24H24N5O15P3 and molecular weight 715.05 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate.
Chemical Property Profile of BzATP
Property Insights of BzATP
The XLogP value of -2.1 indicates that BzATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 302.0 Ų indicates high polarity, suggesting BzATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BzATP has 6 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BzATP?
The CAS number of BzATP is 81790-82-1.
What is the molecular formula of BzATP?
The molecular formula of BzATP is C24H24N5O15P3.
What is the molecular weight of BzATP?
The molecular weight of BzATP is 715.05 g/mol.
Where can I buy BzATP?
You can request a quote for BzATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BzATP?
Yes, KEHONG BIO provides custom synthesis services for BzATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.