VU0493001-1
TL;DR: VU0493001-1 (CAS 848736-49-2) 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.
methyl 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: VU0493001-1, F3235-0754, methyl 2-(9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, methyl 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate, methyl 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 1.4199 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 1235.4908 |
Chemical Identifiers
| CAS Number | 848736-49-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OC)C |
Product Overview
VU0493001-1 (CAS 848736-49-2), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: methyl 2-[9-(4-ethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of VU0493001-1
Property Insights of VU0493001-1
The XLogP value of 1.4199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0493001-1. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0493001-1. Following Lipinski's Rule of Five, VU0493001-1 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 VU0493001-1?
The CAS number of VU0493001-1 is 848736-49-2.
What is the molecular formula of VU0493001-1?
The molecular formula of VU0493001-1 is C21H25N5O4.
What is the molecular weight of VU0493001-1?
The molecular weight of VU0493001-1 is 411.19 g/mol.
Where can I buy VU0493001-1?
You can request a quote for VU0493001-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0493001-1?
Yes, KEHONG BIO provides custom synthesis services for VU0493001-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.