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2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
TL;DR: 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one (CAS 1028055-91-5) is a chemical compound with molecular formula C14H16N2OS and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylphenyl)-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
Also Known As: 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one, 2-(2-ethylphenyl)-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one, 3-(2-ethylphenyl)-2-sulfanylidene-1,3-diazabicyclo[3.3.0]octan-4-one
| Molecular Formula | C14H16N2OS |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.3449 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.09833 |
| Heavy Atoms | 18 |
| Complexity | 492.2704 |
Chemical Identifiers
| CAS Number | 1028055-91-5 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=O)C3CCCN3C2=S |
Product Overview
2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one (CAS 1028055-91-5), with molecular formula C14H16N2OS and molecular weight 260.10 g/mol. IUPAC: 2-(2-ethylphenyl)-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one.
Chemical Property Profile of 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Property Insights of 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
The XLogP value of 2.3449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one. With a topological polar surface area (TPSA) of 23.55 Ų, 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one has 0 hydrogen bond donor(s) and 2 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-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one?
The CAS number of 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one is 1028055-91-5.
What is the molecular formula of 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one?
The molecular formula of 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one is C14H16N2OS.
What is the molecular weight of 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one?
The molecular weight of 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one is 260.10 g/mol.
Where can I buy 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one?
You can request a quote for 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-ethylphenyl)-3-thioxohexahydro-1H-pyrrolo[1,2-c]imidazol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.