(E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 577987-43-0) is a chemical compound with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C19H23N3O2S |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 2.4958 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1511 |
| Heavy Atoms | 25 |
| Complexity | 757.03613 |
Chemical Identifiers
| CAS Number | 577987-43-0 |
|---|---|
| SMILES | CCCCN1CCC2=C1C=CC(=C2)/C=C/3\C(=O)NC(=S)N(C3=O)CC |
Product Overview
(E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 577987-43-0), with molecular formula C19H23N3O2S and molecular weight 357.15 g/mol. IUPAC: (5E)-5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.4958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 52.65 Ų, (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 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 (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 577987-43-0.
What is the molecular formula of (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C19H23N3O2S.
What is the molecular weight of (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 357.15 g/mol.
Where can I buy (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-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 (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((1-butylindolin-5-yl)methylene)-1-ethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.