VU0491821-1
TL;DR: VU0491821-1 (CAS 895843-45-5) is a chemical compound with molecular formula C20H23FN6O4 and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate
Also Known As: VU0491821-1, F2636-0333, methyl 2-[4-[7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate, methyl {4-[7-(2-fluorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetate, methyl 2-(4-(7-(2-fluorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl)acetate
| Molecular Formula | C20H23FN6O4 |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | -0.0943 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.17648 |
| Heavy Atoms | 31 |
| Complexity | 1238.6764 |
Chemical Identifiers
| CAS Number | 895843-45-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)OC)CC4=CC=CC=C4F |
Product Overview
VU0491821-1 (CAS 895843-45-5), with molecular formula C20H23FN6O4 and molecular weight 430.18 g/mol. IUPAC: methyl 2-[4-[7-[(2-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperazin-1-yl]acetate.
Chemical Property Profile of VU0491821-1
Property Insights of VU0491821-1
The XLogP value of -0.0943 indicates that VU0491821-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0491821-1. Following Lipinski's Rule of Five, VU0491821-1 has 1 hydrogen bond donor(s) and 7 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 VU0491821-1?
The CAS number of VU0491821-1 is 895843-45-5.
What is the molecular formula of VU0491821-1?
The molecular formula of VU0491821-1 is C20H23FN6O4.
What is the molecular weight of VU0491821-1?
The molecular weight of VU0491821-1 is 430.18 g/mol.
Where can I buy VU0491821-1?
You can request a quote for VU0491821-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0491821-1?
Yes, KEHONG BIO provides custom synthesis services for VU0491821-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.