![N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide structure](/static/products/858/858763-41-4.png)
N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide
TL;DR: N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide (CAS 858763-41-4) is a chemical compound with molecular formula C23H21N3O7 and molecular weight 451.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-N-methylbenzamide
Also Known As: N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide, N-(2-{6-[(Z)-(2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-N-methylbenzamide, N-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-N-methylbenzamide
| Molecular Formula | C23H21N3O7 |
|---|---|
| Molecular Weight | 451.14 g/mol |
| LogP | 1.488 |
| Topological Polar Surface Area | 123.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.13794 |
| Heavy Atoms | 33 |
| Complexity | 1152.3226 |
Chemical Identifiers
| CAS Number | 858763-41-4 |
|---|---|
| SMILES | CN(CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)NC3=O)OC)OCO2)C(=O)C4=CC=CC=C4 |
Product Overview
N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide (CAS 858763-41-4), with molecular formula C23H21N3O7 and molecular weight 451.14 g/mol. IUPAC: N-[2-[7-methoxy-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-N-methylbenzamide.
Chemical Property Profile of N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide
Property Insights of N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide
The XLogP value of 1.488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide. The TPSA of 123.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide. Following Lipinski's Rule of Five, N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide has 2 hydrogen bond donor(s) and 7 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 N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide?
The CAS number of N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide is 858763-41-4.
What is the molecular formula of N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide?
The molecular formula of N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide is C23H21N3O7.
What is the molecular weight of N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide?
The molecular weight of N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide is 451.14 g/mol.
Where can I buy N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide?
You can request a quote for N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(7-methoxy-6-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzo[d][1,3]dioxol-5-yl)ethyl)-N-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.