(E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 340310-62-5) is a chemical compound with molecular formula C23H24ClN3O2S and molecular weight 441.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C23H24ClN3O2S |
|---|---|
| Molecular Weight | 441.13 g/mol |
| LogP | 5.09484 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.12778 |
| Heavy Atoms | 30 |
| Complexity | 1049.1456 |
Chemical Identifiers
| CAS Number | 340310-62-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2CCCCC2)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl |
Product Overview
(E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 340310-62-5), with molecular formula C23H24ClN3O2S and molecular weight 441.13 g/mol. IUPAC: (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 5.09484 indicates that (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 340310-62-5.
What is the molecular formula of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C23H24ClN3O2S.
What is the molecular weight of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 441.13 g/mol.
Where can I buy (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-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)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-chlorophenyl)-5-((1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.