(E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide
TL;DR: (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide (CAS 6366-72-9) is a chemical compound with molecular formula C27H26N4O4 and molecular weight 470.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]phenyl]acetamide
Also Known As: (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide, N-[4-(3-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide, N-[4-[3-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]phenyl]acetamide, N-[4-(3-{(E)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamide
| Molecular Formula | C27H26N4O4 |
|---|---|
| Molecular Weight | 470.20 g/mol |
| LogP | 4.33578 |
| Topological Polar Surface Area | 100.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.1954 |
| Heavy Atoms | 35 |
| Complexity | 1413.6781 |
Chemical Identifiers
| CAS Number | 6366-72-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)NC(=O)C)C)/C(=O)NC2=O)C |
Product Overview
(E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide (CAS 6366-72-9), with molecular formula C27H26N4O4 and molecular weight 470.20 g/mol. IUPAC: N-[4-[3-[(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]phenyl]acetamide.
Chemical Property Profile of (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide
Property Insights of (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide
The XLogP value of 4.33578 indicates that (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide. Following Lipinski's Rule of Five, (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide has 2 hydrogen bond donor(s) and 4 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-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide?
The CAS number of (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide is 6366-72-9.
What is the molecular formula of (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide?
The molecular formula of (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide is C27H26N4O4.
What is the molecular weight of (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide?
The molecular weight of (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide is 470.20 g/mol.
Where can I buy (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide?
You can request a quote for (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-(3-((1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.