(E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 578762-85-3) is a chemical compound with molecular formula C17H26N4O2S and molecular weight 350.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-aminocyclohexyl)iminomethyl]-1-cyclohexyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[(2-aminocyclohexyl)amino]methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C17H26N4O2S |
|---|---|
| Molecular Weight | 350.18 g/mol |
| LogP | 2.80549 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.17764 |
| Heavy Atoms | 24 |
| Complexity | 718.2812 |
Chemical Identifiers
| CAS Number | 578762-85-3 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=C(C(=O)NC2=S)C=NC3CCCCC3N)O |
Product Overview
(E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 578762-85-3), with molecular formula C17H26N4O2S and molecular weight 350.18 g/mol. IUPAC: 5-[(2-aminocyclohexyl)iminomethyl]-1-cyclohexyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.80549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 3 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 (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 578762-85-3.
What is the molecular formula of (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C17H26N4O2S.
What is the molecular weight of (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 350.18 g/mol.
Where can I buy (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-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 (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(((2-aminocyclohexyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.