2-Chloro-ATP
TL;DR: 2-Chloro-ATP (CAS 5446-96-8) 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-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 2-Chloro-ATP, 2-Chloroadenosine-5-triphosphate, 2-ClATP, 2-Cl-ATP, 2-Chloro-Adenosinetriphosphate
| Molecular Formula | C10H15ClN5O13P3 |
|---|---|
| Molecular Weight | 540.96 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 | 540.9568 |
| Heavy Atoms | 32 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 5446-96-8 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Cl)N |
| InChIKey | RNGCVFCOKZEZFL-UUOKFMHZSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-ATP (CAS 5446-96-8), with molecular formula C10H15ClN5O13P3 and molecular weight 540.96 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 2-Chloro-ATP
Property Insights of 2-Chloro-ATP
The XLogP value of -4.7 indicates that 2-Chloro-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 2-Chloro-ATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chloro-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 2-Chloro-ATP?
The CAS number of 2-Chloro-ATP is 5446-96-8.
What is the molecular formula of 2-Chloro-ATP?
The molecular formula of 2-Chloro-ATP is C10H15ClN5O13P3.
What is the molecular weight of 2-Chloro-ATP?
The molecular weight of 2-Chloro-ATP is 540.96 g/mol.
Where can I buy 2-Chloro-ATP?
You can request a quote for 2-Chloro-ATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-ATP?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-ATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.