5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one
TL;DR: 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one (CAS 488829-32-9) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(indol-3-ylidenemethyl)-2-methylsulfanyl-1H-imidazol-4-ol
Also Known As: 2-chloro-4-naphthalen-2-yl-pyrimidine, 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one, 5-(indol-3-ylidenemethyl)-2-methylsulfanyl-1H-imidazol-4-ol, 5-[1-(1H-Indol-3-yl)-meth-(Z)-ylidene]-2-methylsulfanyl-3,5-dihydro-imidazol-4-one
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 488829-32-9 |
|---|---|
| SMILES | CSC1=NC(=C(N1)C=C2C=NC3=CC=CC=C32)O |
| InChIKey | JHFSQZFFXWWVQM-UHFFFAOYSA-N |
Product Overview
5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one (CAS 488829-32-9), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 5-(indol-3-ylidenemethyl)-2-methylsulfanyl-1H-imidazol-4-ol.
Chemical Property Profile of 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one
Property Insights of 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one. Following Lipinski's Rule of Five, 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one 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-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one?
The CAS number of 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one is 488829-32-9.
What is the molecular formula of 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one?
The molecular formula of 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one is C13H11N3OS.
What is the molecular weight of 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one?
The molecular weight of 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one is 257.06 g/mol.
Where can I buy 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one?
You can request a quote for 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-Indol-3-ylmethylene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.