![(5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/849/849025-90-7.png)
(5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 849025-90-7) is a chemical compound with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1-methyl-5-[[4-(1-methylpiperidin-4-yl)phenyl]iminomethyl]-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-methyl-5-[[4-(1-methylpiperidin-4-yl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-methyl-5-(((4-(1-methylpiperidin-4-yl)phenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-methyl-5-[[4-(1-methylpiperidin-4-yl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.70829 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 890.7726 |
Chemical Identifiers
| CAS Number | 849025-90-7 |
|---|---|
| SMILES | CN1CCC(CC1)C2=CC=C(C=C2)N=CC3=C(N(C(=S)NC3=O)C)O |
Product Overview
(5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 849025-90-7), with molecular formula C18H22N4O2S and molecular weight 358.15 g/mol. IUPAC: 6-hydroxy-1-methyl-5-[[4-(1-methylpiperidin-4-yl)phenyl]iminomethyl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.70829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 5 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-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 849025-90-7.
What is the molecular formula of (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C18H22N4O2S.
What is the molecular weight of (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 358.15 g/mol.
Where can I buy (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-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-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-methyl-5-({[4-(1-methylpiperidin-4-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.