VU0492944-1
TL;DR: VU0492944-1 (CAS 846597-86-2) is a chemical compound with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: VU0492944-1, F3235-0253, methyl 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate, methyl [1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate, methyl 2-(1-methyl-2,4-dioxo-9-(p-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate
| Molecular Formula | C19H21N5O4 |
|---|---|
| Molecular Weight | 383.16 g/mol |
| LogP | 0.91992 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.15936 |
| Heavy Atoms | 28 |
| Complexity | 1186.23 |
Chemical Identifiers
| CAS Number | 846597-86-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC |
Product Overview
VU0492944-1 (CAS 846597-86-2), with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol. IUPAC: methyl 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of VU0492944-1
Property Insights of VU0492944-1
The XLogP value of 0.91992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0492944-1. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0492944-1. Following Lipinski's Rule of Five, VU0492944-1 has 0 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 VU0492944-1?
The CAS number of VU0492944-1 is 846597-86-2.
What is the molecular formula of VU0492944-1?
The molecular formula of VU0492944-1 is C19H21N5O4.
What is the molecular weight of VU0492944-1?
The molecular weight of VU0492944-1 is 383.16 g/mol.
Where can I buy VU0492944-1?
You can request a quote for VU0492944-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0492944-1?
Yes, KEHONG BIO provides custom synthesis services for VU0492944-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.