Inarigivir
TL;DR: Inarigivir (CAS 475650-36-3) is a chemical compound with molecular formula C20H26N7O10PS and molecular weight 587.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
Also Known As: Inarigivir, EX-A3427, Inarigivir(ORI-9020,SB-9000), J1.383.859C, 2'-O-Methyl-p-thiouridylyl-(3'->5')-2'-deoxyadenosine
| Molecular Formula | C20H26N7O10PS |
|---|---|
| Molecular Weight | 587.12 g/mol |
| LogP | -1.8696 |
| Topological Polar Surface Area | 231.32 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 587.11993 |
| Heavy Atoms | 39 |
| Complexity | 1499.2556 |
Chemical Identifiers
| CAS Number | 475650-36-3 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=S)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O |
Product Overview
Inarigivir (CAS 475650-36-3), with molecular formula C20H26N7O10PS and molecular weight 587.12 g/mol. IUPAC: 1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of Inarigivir
Property Insights of Inarigivir
The XLogP value of -1.8696 indicates that Inarigivir is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 231.32 Ų indicates high polarity, suggesting Inarigivir may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inarigivir has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inarigivir?
The CAS number of Inarigivir is 475650-36-3.
What is the molecular formula of Inarigivir?
The molecular formula of Inarigivir is C20H26N7O10PS.
What is the molecular weight of Inarigivir?
The molecular weight of Inarigivir is 587.12 g/mol.
Where can I buy Inarigivir?
You can request a quote for Inarigivir directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inarigivir?
Yes, KEHONG BIO provides custom synthesis services for Inarigivir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.