5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 840513-11-3) is a chemical compound with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
| Molecular Formula | C17H19N3O2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 1.7635 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1198 |
| Heavy Atoms | 23 |
| Complexity | 689.7901 |
Chemical Identifiers
| CAS Number | 840513-11-3 |
|---|---|
| SMILES | CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)NC3=O |
Product Overview
5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 840513-11-3), with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol. IUPAC: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.7635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 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-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 840513-11-3.
What is the molecular formula of 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C17H19N3O2S.
What is the molecular weight of 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 329.12 g/mol.
Where can I buy 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((1-butylindolin-5-yl)methylene)-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-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-butylindolin-5-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.