![(E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide structure](/static/products/117/1173306-42-7.png)
(E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide
TL;DR: (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide (CAS 1173306-42-7) is a chemical compound with molecular formula C22H25N3O8 and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-[(E)-3-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxoprop-1-enyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylacetamide
Also Known As: (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide, N-(2-{6-[(1E)-3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-N-methylacetamide, N-[2-[6-[(E)-3-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxoprop-1-enyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylacetamide
| Molecular Formula | C22H25N3O8 |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 0.4438 |
| Topological Polar Surface Area | 129.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.16415 |
| Heavy Atoms | 33 |
| Complexity | 1272.113 |
Chemical Identifiers
| CAS Number | 1173306-42-7 |
|---|---|
| SMILES | CC(=O)N(C)CCC1=CC2=C(C(=C1/C=C/C(=O)C3=C(N(C(=O)N(C3=O)C)C)O)OC)OCO2 |
Product Overview
(E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide (CAS 1173306-42-7), with molecular formula C22H25N3O8 and molecular weight 459.16 g/mol. IUPAC: N-[2-[6-[(E)-3-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxoprop-1-enyl]-7-methoxy-1,3-benzodioxol-5-yl]ethyl]-N-methylacetamide.
Chemical Property Profile of (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide
Property Insights of (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide
The XLogP value of 0.4438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide. The TPSA of 129.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide. Following Lipinski's Rule of Five, (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide has 1 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 (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide?
The CAS number of (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide is 1173306-42-7.
What is the molecular formula of (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide?
The molecular formula of (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide is C22H25N3O8.
What is the molecular weight of (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide?
The molecular weight of (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide is 459.16 g/mol.
Where can I buy (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide?
You can request a quote for (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-(6-(3-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxoprop-1-en-1-yl)-7-methoxybenzo[d][1,3]dioxol-5-yl)ethyl)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.