2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one
TL;DR: 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one (CAS 76696-85-0) is a chemical compound with molecular formula C15H18N2OS and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylsulfanylethyl)-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
Also Known As: 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one, 3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-, 2-(2-methylsulfanylethyl)-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one, 2-(2-methylsulfanylethyl)-6-phenyl-2,5,6,7-tetrahydropyrrolo[2,1-b]imidazol-3-one, 2-[2-(Methylsulfanyl)ethyl]-6-phenyl-2,5,6,7-tetrahydro-3H-pyrrolo[1,2-a]imidazol-3-one
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 2.5363 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.11398 |
| Heavy Atoms | 19 |
| Complexity | 500.12686 |
Chemical Identifiers
| CAS Number | 76696-85-0 |
|---|---|
| SMILES | CSCCC1C(=O)N2CC(CC2=N1)C3=CC=CC=C3 |
Product Overview
2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one (CAS 76696-85-0), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: 2-(2-methylsulfanylethyl)-6-phenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one.
Chemical Property Profile of 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one
Property Insights of 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one
The XLogP value of 2.5363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one. With a topological polar surface area (TPSA) of 32.67 Ų, 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one 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 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one?
The CAS number of 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one is 76696-85-0.
What is the molecular formula of 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one?
The molecular formula of 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one is C15H18N2OS.
What is the molecular weight of 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one?
The molecular weight of 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one is 274.11 g/mol.
Where can I buy 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one?
You can request a quote for 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,5,6,7-Tetrahydro-2-(2-(methylthio)ethyl)-6-phenyl-3H-pyrrolo(1,2-a)imidazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.