Clrpppa
TL;DR: Clrpppa (CAS 75501-18-7) is a chemical compound with molecular formula C26H39ClN7O15P3 and molecular weight 817.14 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] [2-[3-[N-(2-chloroethyl)-4-formylanilino]propyl-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Clrpppa, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2-[3-[N-(2-chloroethyl)-4-formylanilino]propyl-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl] hydrogen phosphate, Adenosine 5'-(tetrahydrogen triphosphate), mono(2-((3-((2-chloroethyl)(4-formylphenyl)amino)propyl)(2-hydroxyethyl)amino)ethyl) ester, [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[2-[3-[2-chloroethyl-(4-formylphenyl)amino]propyl-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate, 5'-O-[{[{[{2-[{3-[(2-chloroethyl)(4-formylphenyl)amino]propyl}(2-hydroxyethyl)amino]ethoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
| Molecular Formula | C26H39ClN7O15P3 |
|---|---|
| Molecular Weight | 817.14 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Exact Mass | 817.14056 |
| Heavy Atoms | 52 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 75501-18-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)N(CCCN(CCO)CCOP(=O)(O)OP(=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)CCCl |
| InChIKey | CJGIJJHZZCCBTH-HUBRGWSESA-N |
Product Overview
Clrpppa (CAS 75501-18-7), with molecular formula C26H39ClN7O15P3 and molecular weight 817.14 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2-[3-[N-(2-chloroethyl)-4-formylanilino]propyl-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of Clrpppa
Property Insights of Clrpppa
The XLogP value of -5.9 indicates that Clrpppa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.0 Ų indicates high polarity, suggesting Clrpppa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clrpppa has 7 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clrpppa?
The CAS number of Clrpppa is 75501-18-7.
What is the molecular formula of Clrpppa?
The molecular formula of Clrpppa is C26H39ClN7O15P3.
What is the molecular weight of Clrpppa?
The molecular weight of Clrpppa is 817.14 g/mol.
Where can I buy Clrpppa?
You can request a quote for Clrpppa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clrpppa?
Yes, KEHONG BIO provides custom synthesis services for Clrpppa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.