2-Chloro-AOPOPCP
TL;DR: 2-Chloro-AOPOPCP (CAS 39718-84-8) is a chemical compound with molecular formula C11H16ClN5O9P2 and molecular weight 459.01 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]methylphosphonic acid
Also Known As: 2-Chloro-aopopcp, 2-Chloro-5'-adenylyl methylenediphosphonate, 2-chloro-5'-o-[hydroxy(phosphonomethyl)phosphoryl]adenosine, [[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid, 2-Chloro-9-{5-O-[hydroxy(phosphonomethyl)phosphoryl]pentofuranosyl}-9H-purin-6-amine
| Molecular Formula | C11H16ClN5O9P2 |
|---|---|
| Molecular Weight | 459.01 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.01117 |
| Heavy Atoms | 28 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 39718-84-8 |
|---|---|
| SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)Cl)N |
| InChIKey | INCBEFXULMHULH-KQYNXXCUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-AOPOPCP (CAS 39718-84-8), with molecular formula C11H16ClN5O9P2 and molecular weight 459.01 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid.
Chemical Property Profile of 2-Chloro-AOPOPCP
Property Insights of 2-Chloro-AOPOPCP
The XLogP value of -3.8 indicates that 2-Chloro-AOPOPCP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting 2-Chloro-AOPOPCP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chloro-AOPOPCP has 6 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 2-Chloro-AOPOPCP?
The CAS number of 2-Chloro-AOPOPCP is 39718-84-8.
What is the molecular formula of 2-Chloro-AOPOPCP?
The molecular formula of 2-Chloro-AOPOPCP is C11H16ClN5O9P2.
What is the molecular weight of 2-Chloro-AOPOPCP?
The molecular weight of 2-Chloro-AOPOPCP is 459.01 g/mol.
Where can I buy 2-Chloro-AOPOPCP?
You can request a quote for 2-Chloro-AOPOPCP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-AOPOPCP?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-AOPOPCP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.