![(5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/577/577962-87-9.png)
(5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577962-87-9) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-aminocyclohexyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 2.29809 |
| Topological Polar Surface Area | 105.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 917.5139 |
Chemical Identifiers
| CAS Number | 577962-87-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=NC3CCCCC3N)O |
Product Overview
(5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577962-87-9), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: 5-[(2-aminocyclohexyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.29809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 105.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 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)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 577962-87-9.
What is the molecular formula of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C18H22N4O3S.
What is the molecular weight of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 374.14 g/mol.
Where can I buy (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.