8-Chloro-ATP
TL;DR: 8-Chloro-ATP (CAS 185341-71-3) is a chemical compound with molecular formula C10H15ClN5O13P3 and molecular weight 540.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-amino-8-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 8-Chloro-ATP, 8-Cl-ATP, 8-CL-ATP SODIUM SALT, 8-Chloroadenosin-5'-triphosphate, 8-Chloroadenosine 5'-triphosphate
| Molecular Formula | C10H15ClN5O13P3 |
|---|---|
| Molecular Weight | 540.96 g/mol |
| LogP | -0.9756 |
| Topological Polar Surface Area | 279.13 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.9568 |
| Heavy Atoms | 32 |
| Complexity | 1156.8125 |
Chemical Identifiers
| CAS Number | 185341-71-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N |
Product Overview
8-Chloro-ATP (CAS 185341-71-3), with molecular formula C10H15ClN5O13P3 and molecular weight 540.96 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-amino-8-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 8-Chloro-ATP
Property Insights of 8-Chloro-ATP
The XLogP value of -0.9756 indicates that 8-Chloro-ATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 279.13 Ų indicates high polarity, suggesting 8-Chloro-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-Chloro-ATP has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Chloro-ATP?
The CAS number of 8-Chloro-ATP is 185341-71-3.
What is the molecular formula of 8-Chloro-ATP?
The molecular formula of 8-Chloro-ATP is C10H15ClN5O13P3.
What is the molecular weight of 8-Chloro-ATP?
The molecular weight of 8-Chloro-ATP is 540.96 g/mol.
Where can I buy 8-Chloro-ATP?
You can request a quote for 8-Chloro-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-ATP?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.