benzo-ATP
TL;DR: benzo-ATP (CAS 6310-68-5) is a chemical compound with molecular formula C14H18N5O13P3 and molecular weight 557.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Linear benzo-ATP, Benzo-ATP, Benzo-adenosine triphosphate, [[(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 3-[5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-
| Molecular Formula | C14H18N5O13P3 |
|---|---|
| Molecular Weight | 557.01 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.0114 |
| Heavy Atoms | 35 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 6310-68-5 |
|---|---|
| SMILES | C1=C2C(=CC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N |
| InChIKey | GQKSSPZWXCSSJT-HKUMRIAESA-N |
Product Overview
benzo-ATP (CAS 6310-68-5), with molecular formula C14H18N5O13P3 and molecular weight 557.01 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of benzo-ATP
Property Insights of benzo-ATP
The XLogP value of -4.7 indicates that benzo-ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 279.0 Ų indicates high polarity, suggesting benzo-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzo-ATP has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzo-ATP?
The CAS number of benzo-ATP is 6310-68-5.
What is the molecular formula of benzo-ATP?
The molecular formula of benzo-ATP is C14H18N5O13P3.
What is the molecular weight of benzo-ATP?
The molecular weight of benzo-ATP is 557.01 g/mol.
Where can I buy benzo-ATP?
You can request a quote for benzo-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzo-ATP?
Yes, KEHONG BIO provides custom synthesis services for benzo-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.