RefChem:1076692
TL;DR: RefChem:1076692 (CAS 31509-25-8) is a chemical compound with molecular formula C12H18INO2 and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]-trimethylazanium iodide
Also Known As: Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethyl-, (E)-, iodide, trans-(2,3-Dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethylammonium iodide, [(2R,3S)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]-trimethylazanium iodide, Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethyl-, iodide, trans-, RefChem:1076692
| Molecular Formula | C12H18INO2 |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.03824 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 31509-25-8 |
|---|---|
| SMILES | C[C@@H]1[C@H](C2=C(O1)C(=CC=C2)[N+](C)(C)C)O.[I-] |
| InChIKey | DSMHEOTTYPTFBH-JHQAJZDGSA-M |
Product Overview
RefChem:1076692 (CAS 31509-25-8), with molecular formula C12H18INO2 and molecular weight 335.04 g/mol. IUPAC: [(2R,3S)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:1076692
Property Insights of RefChem:1076692
The XLogP value of -1.3 indicates that RefChem:1076692 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:1076692 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076692 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
Frequently Asked Questions
What is the CAS number of RefChem:1076692?
The CAS number of RefChem:1076692 is 31509-25-8.
What is the molecular formula of RefChem:1076692?
The molecular formula of RefChem:1076692 is C12H18INO2.
What is the molecular weight of RefChem:1076692?
The molecular weight of RefChem:1076692 is 335.04 g/mol.
Where can I buy RefChem:1076692?
You can request a quote for RefChem:1076692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076692?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.