![(5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/5996/5996-47-4.webp)
(5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 5996-47-4) is a chemical compound with molecular formula C22H14BrN3O5S and molecular weight 510.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-bromo-2-methylphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-1-(4-bromo-2-methylphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(4-BROMO-2-METHYLPHENYL)-5-{[5-(2-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (Z)-1-(4-bromo-2-methylphenyl)-5-((5-(2-nitrophenyl)furan-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C22H14BrN3O5S |
|---|---|
| Molecular Weight | 510.98 g/mol |
| LogP | 4.75702 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 510.98376 |
| Heavy Atoms | 32 |
| Complexity | 1330.6055 |
Chemical Identifiers
| CAS Number | 5996-47-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])/C(=O)NC2=S |
Product Overview
(5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 5996-47-4), with molecular formula C22H14BrN3O5S and molecular weight 510.98 g/mol. IUPAC: (5Z)-1-(4-bromo-2-methylphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.75702 indicates that (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 5996-47-4.
What is the molecular formula of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C22H14BrN3O5S.
What is the molecular weight of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 510.98 g/mol.
Where can I buy (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-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)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(4-bromo-2-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.