RefChem:1076691
TL;DR: RefChem:1076691 (CAS 31509-23-6) is a chemical compound with molecular formula C12H18INO2 and molecular weight 335.03824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-trimethylazanium iodide
Also Known As: Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethyl-, (E)-, iodide, trans-(2,3-Dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethylammonium iodide, trans-5-Dimethylamino-3-hydroxy-2-methyl-2,3-dihydrobenzofuran methiodide, [(2R,3S)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-trimethylazanium iodide, Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethyl-, (Z)-, iodide
Technical Specifications
| Molecular Formula | C12H18INO2 |
| Molecular Weight | 335.03824 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.03824 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | C[C@@H]1[C@H](C2=C(O1)C=CC(=C2)[N+](C)(C)C)O.[I-] |
| InChIKey | VVKWIAXBUFKNOF-DAIXLEOSSA-M |
Chemical Property Profile of RefChem:1076691
Property Insights of RefChem:1076691
The XLogP value of -1.3 indicates that RefChem:1076691 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:1076691 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076691 has 1 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 RefChem:1076691?
The CAS number of RefChem:1076691 is 31509-23-6.
What is the molecular formula of RefChem:1076691?
The molecular formula of RefChem:1076691 is C12H18INO2.
What is the molecular weight of RefChem:1076691?
The molecular weight of RefChem:1076691 is 335.03824 g/mol.
Where can I buy RefChem:1076691?
You can request a quote for RefChem:1076691 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1076691?
Yes, CoreyChem provides custom synthesis services for RefChem:1076691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.