VU0491834-1
TL;DR: VU0491834-1 (CAS 898428-22-3) is a chemical compound with molecular formula C21H26N6O4 and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]piperazin-1-yl]acetate
Also Known As: VU0491834-1, F2636-0520, methyl 2-[4-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]piperazin-1-yl]acetate, methyl 2-{4-[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazin-1-yl}acetate, Methyl 2-[4-(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)piperazin-1-yl]acetate
| Molecular Formula | C21H26N6O4 |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | -0.039 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.20154 |
| Heavy Atoms | 31 |
| Complexity | 1188.2858 |
Chemical Identifiers
| CAS Number | 898428-22-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC(=O)OC)CCC4=CC=CC=C4 |
Product Overview
VU0491834-1 (CAS 898428-22-3), with molecular formula C21H26N6O4 and molecular weight 426.20 g/mol. IUPAC: methyl 2-[4-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]piperazin-1-yl]acetate.
Chemical Property Profile of VU0491834-1
Property Insights of VU0491834-1
The XLogP value of -0.039 indicates that VU0491834-1 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 VU0491834-1. Following Lipinski's Rule of Five, VU0491834-1 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 VU0491834-1?
The CAS number of VU0491834-1 is 898428-22-3.
What is the molecular formula of VU0491834-1?
The molecular formula of VU0491834-1 is C21H26N6O4.
What is the molecular weight of VU0491834-1?
The molecular weight of VU0491834-1 is 426.20 g/mol.
Where can I buy VU0491834-1?
You can request a quote for VU0491834-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0491834-1?
Yes, KEHONG BIO provides custom synthesis services for VU0491834-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.