![(5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/444/444763-96-6.png)
(5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 444763-96-6) is a chemical compound with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[1-(4-HYDROXYPHENYL)-1H-PYRROL-2-YL]METHYLIDENE}-1-(4-METHOXYPHENYL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (E)-5-((1-(4-hydroxyphenyl)-1H-pyrrol-2-yl)methylene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C22H17N3O4S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 3.0228 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.09396 |
| Heavy Atoms | 30 |
| Complexity | 1163.8531 |
Chemical Identifiers
| CAS Number | 444763-96-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)O)/C(=O)NC2=S |
Product Overview
(5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 444763-96-6), with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol. IUPAC: (5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.0228 indicates that (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 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 (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 444763-96-6.
What is the molecular formula of (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C22H17N3O4S.
What is the molecular weight of (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 419.09 g/mol.
Where can I buy (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-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 (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.