3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)
TL;DR: 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) (CAS 55203-51-5) is a chemical compound with molecular formula C19H22INO2S and molecular weight 455.0416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethylindol-1-ium iodide
Also Known As: 1-Ethyl-2,3,3-trimethyl-5-(phenylsulphonyl)-3H-indolium iodide, 1-ethyl-2,3,3-trimethyl-5-3h-indoliumiodide, 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide, 1-ethyl-2,3,3-trimethyl-5- -3H-indoliumiodide, 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H22INO2S |
| Molecular Weight | 455.0416 g/mol |
| XLogP | 0.94 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.0416 Da |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
| SMILES | CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C.[I-] |
| InChIKey | OQJOGLZCCHZCOU-UHFFFAOYSA-M |
Chemical Property Profile of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)
Property Insights of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)
The XLogP value of 0.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1). With a topological polar surface area (TPSA) of 45.5 Ų, 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) 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
What is the CAS number of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)?
The CAS number of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) is 55203-51-5.
What is the molecular formula of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)?
The molecular formula of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) is C19H22INO2S.
What is the molecular weight of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)?
The molecular weight of 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) is 455.0416 g/mol.
Where can I buy 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)?
You can request a quote for 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1)?
Yes, CoreyChem provides custom synthesis services for 3H-Indolium, 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.