(Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide
TL;DR: (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide (CAS 374101-98-1) is a chemical compound with molecular formula C29H27N3O6S and molecular weight 545.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[5-[(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
Also Known As: (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide, N-[4-[[5-[(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide, N-{4-[(5-{(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)oxy]phenyl}acetamide
| Molecular Formula | C29H27N3O6S |
|---|---|
| Molecular Weight | 545.16 g/mol |
| LogP | 4.4626 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.16205 |
| Heavy Atoms | 39 |
| Complexity | 1434.3818 |
Chemical Identifiers
| CAS Number | 374101-98-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)NC(=O)C)/C(=O)NC2=S |
Product Overview
(Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide (CAS 374101-98-1), with molecular formula C29H27N3O6S and molecular weight 545.16 g/mol. IUPAC: N-[4-[[5-[(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide.
Chemical Property Profile of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide
Property Insights of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide
The XLogP value of 4.4626 indicates that (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide. Following Lipinski's Rule of Five, (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
The CAS number of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide is 374101-98-1.
What is the molecular formula of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
The molecular formula of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide is C29H27N3O6S.
What is the molecular weight of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
The molecular weight of (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide is 545.16 g/mol.
Where can I buy (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
You can request a quote for (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(4-((5-((1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.