Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)
TL;DR: Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) (CAS 62509-87-9) is a chemical compound with molecular formula C12H16INO and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium iodide
Also Known As: 3-Ethyl-2,5,6-trimethylbenzoxazolium iodide, 1-Methyl-1H-pyrazole-4-boronicacid, Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide, Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1), 2,5,6-TRIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE
| Molecular Formula | C12H16INO |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | -0.33 |
| Topological Polar Surface Area | 17.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.02765 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 62509-87-9 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C.[I-] |
| InChIKey | QCJKBLIAOOLJMV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) (CAS 62509-87-9), with molecular formula C12H16INO and molecular weight 317.03 g/mol. IUPAC: 3-ethyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium iodide.
Chemical Property Profile of Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)
Property Insights of Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)
The XLogP value of -0.33 indicates that Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.0 Ų, Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) 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 Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)?
The CAS number of Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) is 62509-87-9.
What is the molecular formula of Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)?
The molecular formula of Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) is C12H16INO.
What is the molecular weight of Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)?
The molecular weight of Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) is 317.03 g/mol.
Where can I buy Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)?
You can request a quote for Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.