![(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/578/578701-82-3.png)
(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 578701-82-3) is a chemical compound with molecular formula C21H13ClFN3O2S and molecular weight 425.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-5-((1-(4-chlorophenyl)-1H-pyrrol-2-yl)methylene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H13ClFN3O2S |
|---|---|
| Molecular Weight | 425.04 g/mol |
| LogP | 4.1011 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.0401 |
| Heavy Atoms | 29 |
| Complexity | 1153.4291 |
Chemical Identifiers
| CAS Number | 578701-82-3 |
|---|---|
| SMILES | C1=CN(C(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl |
Product Overview
(5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 578701-82-3), with molecular formula C21H13ClFN3O2S and molecular weight 425.04 g/mol. IUPAC: (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.1011 indicates that (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-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, (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 3 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 (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 578701-82-3.
What is the molecular formula of (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C21H13ClFN3O2S.
What is the molecular weight of (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 425.04 g/mol.
Where can I buy (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-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 (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.