VU0489330-1
TL;DR: VU0489330-1 (CAS 845804-55-9) is a chemical compound with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: VU0489330-1, 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, F1532-0053, 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H28N6O4 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | -0.3746 |
| Topological Polar Surface Area | 97.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.2172 |
| Heavy Atoms | 31 |
| Complexity | 1174.5286 |
Chemical Identifiers
| CAS Number | 845804-55-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)N(C(=O)N3C)C |
Product Overview
VU0489330-1 (CAS 845804-55-9), with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol. IUPAC: 7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of VU0489330-1
Property Insights of VU0489330-1
The XLogP value of -0.3746 indicates that VU0489330-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.76 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489330-1. Following Lipinski's Rule of Five, VU0489330-1 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 VU0489330-1?
The CAS number of VU0489330-1 is 845804-55-9.
What is the molecular formula of VU0489330-1?
The molecular formula of VU0489330-1 is C21H28N6O4.
What is the molecular weight of VU0489330-1?
The molecular weight of VU0489330-1 is 428.22 g/mol.
Where can I buy VU0489330-1?
You can request a quote for VU0489330-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489330-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489330-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.