VU0238633-3
TL;DR: VU0238633-3 (CAS 442864-45-1) is a chemical compound with molecular formula C26H30N6O3 and molecular weight 474.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: VU0238633-3, 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C26H30N6O3 |
|---|---|
| Molecular Weight | 474.24 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.23795 |
| Heavy Atoms | 35 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 442864-45-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCCC5=CC=CC=C5 |
| InChIKey | SPNRZDJHPPYEDJ-UHFFFAOYSA-N |
Product Overview
VU0238633-3 (CAS 442864-45-1), with molecular formula C26H30N6O3 and molecular weight 474.24 g/mol. IUPAC: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of VU0238633-3
Property Insights of VU0238633-3
The XLogP value of 3.7 indicates that VU0238633-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0238633-3. Following Lipinski's Rule of Five, VU0238633-3 has 1 hydrogen bond donor(s) and 6 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 VU0238633-3?
The CAS number of VU0238633-3 is 442864-45-1.
What is the molecular formula of VU0238633-3?
The molecular formula of VU0238633-3 is C26H30N6O3.
What is the molecular weight of VU0238633-3?
The molecular weight of VU0238633-3 is 474.24 g/mol.
Where can I buy VU0238633-3?
You can request a quote for VU0238633-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0238633-3?
Yes, KEHONG BIO provides custom synthesis services for VU0238633-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.