(Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide
TL;DR: (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide (CAS 374550-34-2) is a chemical compound with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[5-[(Z)-(1-butyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
Also Known As: (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide, N-[4-({5-[(Z)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-2-methoxybenzyl}oxy)phenyl]acetamide, N-[4-[[5-[(Z)-(1-butyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
| Molecular Formula | C25H27N3O5S |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 3.6594 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.16714 |
| Heavy Atoms | 34 |
| Complexity | 1127.8711 |
Chemical Identifiers
| CAS Number | 374550-34-2 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C\C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)NC(=O)C)/C(=O)NC1=S |
Product Overview
(Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide (CAS 374550-34-2), with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol. IUPAC: N-[4-[[5-[(Z)-(1-butyl-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-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide
Property Insights of (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide
The XLogP value of 3.6594 indicates that (Z)-N-(4-((5-((1-butyl-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 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(4-((5-((1-butyl-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-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide has 2 hydrogen bond donor(s) and 6 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 (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
The CAS number of (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide is 374550-34-2.
What is the molecular formula of (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
The molecular formula of (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide is C25H27N3O5S.
What is the molecular weight of (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide?
The molecular weight of (Z)-N-(4-((5-((1-butyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2-methoxybenzyl)oxy)phenyl)acetamide is 481.17 g/mol.
Where can I buy (Z)-N-(4-((5-((1-butyl-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-butyl-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-butyl-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-butyl-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.