pradefovir
TL;DR: pradefovir (CAS 625095-60-5) is a chemical compound with molecular formula C17H19ClN5O4P and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]ethyl]purin-6-amine
Also Known As: pradefovir, J2.048.989H, 9-[2-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2, (2R)-2alpha-[2-(6-Amino-9H-purine-9-yl)ethoxymethyl]-4alpha-(3-chlorophenyl)-1,3,2-dioxaphosphorinane 2-oxide, (2R,4S)-2-((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)-4-(3-chlorophenyl)-1,3,2-dioxaphosphinane 2-oxide
| Molecular Formula | C17H19ClN5O4P |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.4073 |
| Topological Polar Surface Area | 114.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.0863 |
| Heavy Atoms | 28 |
| Complexity | 1029.7053 |
Chemical Identifiers
| CAS Number | 625095-60-5 |
|---|---|
| SMILES | C1COP(=O)(O[C@@H]1C2=CC(=CC=C2)Cl)COCCN3C=NC4=C(N=CN=C43)N |
Product Overview
pradefovir (CAS 625095-60-5), with molecular formula C17H19ClN5O4P and molecular weight 423.09 g/mol. IUPAC: 9-[2-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]ethyl]purin-6-amine.
Chemical Property Profile of pradefovir
Property Insights of pradefovir
The XLogP value of 3.4073 indicates that pradefovir is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.38 Ų falls within the moderate polarity range, balancing permeability and solubility for pradefovir. Following Lipinski's Rule of Five, pradefovir has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pradefovir?
The CAS number of pradefovir is 625095-60-5.
What is the molecular formula of pradefovir?
The molecular formula of pradefovir is C17H19ClN5O4P.
What is the molecular weight of pradefovir?
The molecular weight of pradefovir is 423.09 g/mol.
Where can I buy pradefovir?
You can request a quote for pradefovir directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pradefovir?
Yes, KEHONG BIO provides custom synthesis services for pradefovir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.