![5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/443/443663-29-4.png)
5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 443663-29-4) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-((2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl)methylene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl)methylene]-1,3-diethyl-2-thioxo-1,3- dihydropyrimidine-4,6-dione, 5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 2.86804 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 918.39136 |
Chemical Identifiers
| CAS Number | 443663-29-4 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=NC=C3)C)C(=O)N(C1=S)CC |
Product Overview
5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 443663-29-4), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 5-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.86804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 58.44 Ų, 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 0 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 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 443663-29-4.
What is the molecular formula of 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C20H22N4O2S.
What is the molecular weight of 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 382.15 g/mol.
Where can I buy 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-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 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.