(E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 714236-55-2) is a chemical compound with molecular formula C18H20ClN3O2S and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chloro-4-methylphenyl)iminomethyl]-1-cyclohexyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(3-chloro-4-methylanilino)methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[(3-chloro-4-methylphenyl)amino]methylidene}-1-cyclohexyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 5-[(3-chloro-4-methylanilino)methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H20ClN3O2S |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 4.82911 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.09647 |
| Heavy Atoms | 25 |
| Complexity | 926.89404 |
Chemical Identifiers
| CAS Number | 714236-55-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=CC2=C(N(C(=S)NC2=O)C3CCCCC3)O)Cl |
Product Overview
(E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 714236-55-2), with molecular formula C18H20ClN3O2S and molecular weight 377.10 g/mol. IUPAC: 5-[(3-chloro-4-methylphenyl)iminomethyl]-1-cyclohexyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.82911 indicates that (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 4 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-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 714236-55-2.
What is the molecular formula of (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C18H20ClN3O2S.
What is the molecular weight of (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 377.10 g/mol.
Where can I buy (E)-5-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(((3-chloro-4-methylphenyl)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-(((3-chloro-4-methylphenyl)amino)methylene)-1-cyclohexyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(((3-chloro-4-methylphenyl)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.