![(5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione structure](/static/products/578/578699-41-9.png)
(5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 578699-41-9) is a chemical compound with molecular formula C18H23N3O4S and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-butan-2-yl-5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-butan-2-yl-5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(sec-butyl)-5-(((3,5-dimethoxybenzyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-butan-2-yl-5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H23N3O4S |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 3.21879 |
| Topological Polar Surface Area | 88.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.14093 |
| Heavy Atoms | 26 |
| Complexity | 895.3778 |
Chemical Identifiers
| CAS Number | 578699-41-9 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NCC2=CC(=CC(=C2)OC)OC)O |
Product Overview
(5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione (CAS 578699-41-9), with molecular formula C18H23N3O4S and molecular weight 377.14 g/mol. IUPAC: 1-butan-2-yl-5-[(3,5-dimethoxyphenyl)methyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.21879 indicates that (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione 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 (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 578699-41-9.
What is the molecular formula of (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is C18H23N3O4S.
What is the molecular weight of (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione is 377.14 g/mol.
Where can I buy (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(butan-2-yl)-5-{[(3,5-dimethoxybenzyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.