![1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/896/896841-10-4.png)
1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 896841-10-4) is a chemical compound with molecular formula C24H21N3O2S and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-methylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1,3-bis(2-methylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C24H21N3O2S |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 4.39024 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.13544 |
| Heavy Atoms | 30 |
| Complexity | 1138.9199 |
Chemical Identifiers
| CAS Number | 896841-10-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C)C(=O)N(C2=S)C4=CC=CC=C4C |
Product Overview
1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 896841-10-4), with molecular formula C24H21N3O2S and molecular weight 415.14 g/mol. IUPAC: 1,3-bis(2-methylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.39024 indicates that 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-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 45.55 Ų, 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 0 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 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 896841-10-4.
What is the molecular formula of 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C24H21N3O2S.
What is the molecular weight of 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 415.14 g/mol.
Where can I buy 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-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 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis(2-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.