![2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate structure](/static/products/852/852831-01-7.png)
2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
TL;DR: 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate (CAS 852831-01-7) is a chemical compound with molecular formula C22H28N4O7S and molecular weight 492.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
Also Known As: 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate, [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
| Molecular Formula | C22H28N4O7S |
|---|---|
| Molecular Weight | 492.17 g/mol |
| LogP | 0.40982 |
| Topological Polar Surface Area | 159.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 492.16788 |
| Heavy Atoms | 34 |
| Complexity | 1320.7473 |
Chemical Identifiers
| CAS Number | 852831-01-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N |
Product Overview
2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate (CAS 852831-01-7), with molecular formula C22H28N4O7S and molecular weight 492.17 g/mol. IUPAC: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate.
Chemical Property Profile of 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
Property Insights of 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
The XLogP value of 0.40982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate. The TPSA of 159.56 Ų indicates high polarity, suggesting 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate has 2 hydrogen bond donor(s) and 8 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 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The CAS number of 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is 852831-01-7.
What is the molecular formula of 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The molecular formula of 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is C22H28N4O7S.
What is the molecular weight of 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The molecular weight of 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is 492.17 g/mol.
Where can I buy 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
You can request a quote for 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.