VU0509718-1
TL;DR: VU0509718-1 (CAS 887197-71-9) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid
Also Known As: VU0509718-1, F3124-1196, 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid, 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid, [9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 1.8657 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 1219.3982 |
Chemical Identifiers
| CAS Number | 887197-71-9 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)O |
Product Overview
VU0509718-1 (CAS 887197-71-9), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid.
Chemical Property Profile of VU0509718-1
Property Insights of VU0509718-1
The XLogP value of 1.8657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509718-1. The TPSA of 102.36 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509718-1. Following Lipinski's Rule of Five, VU0509718-1 has 1 hydrogen bond donor(s) and 5 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 VU0509718-1?
The CAS number of VU0509718-1 is 887197-71-9.
What is the molecular formula of VU0509718-1?
The molecular formula of VU0509718-1 is C21H25N5O4.
What is the molecular weight of VU0509718-1?
The molecular weight of VU0509718-1 is 411.19 g/mol.
Where can I buy VU0509718-1?
You can request a quote for VU0509718-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509718-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509718-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.