3-乙基-2-甲基苯并噁唑鎓碘化物
TL;DR: 3-乙基-2-甲基苯并噁唑鎓碘化物 (CAS 5260-37-7) is a chemical compound with molecular formula C10H12INO and molecular weight 289.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙基-2-甲基苯并噁唑鎓碘化物
3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide
Also Known As: 3-Ethyl-2-methylbenzoxazolium iodide, ethylenediamine, 3-ethyl-2-methylbenzo[d]oxazol-3-ium iodide, 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide, 2-Methyl-3-ethylbenzoxazolium iodide
| Molecular Formula | C10H12INO |
|---|---|
| Molecular Weight | 289.00 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 17.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.99637 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 5260-37-7 |
|---|---|
| SMILES | CC[N+]1=C(OC2=CC=CC=C21)C.[I-] |
| InChIKey | UZWYLWSUBQEUMC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基-2-甲基苯并噁唑鎓碘化物 (CAS 5260-37-7), with molecular formula C10H12INO and molecular weight 289.00 g/mol. IUPAC: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide.
Chemical Property Profile of 3-乙基-2-甲基苯并噁唑鎓碘化物
Property Insights of 3-乙基-2-甲基苯并噁唑鎓碘化物
The XLogP value of -0.95 indicates that 3-乙基-2-甲基苯并噁唑鎓碘化物 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, 3-乙基-2-甲基苯并噁唑鎓碘化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基-2-甲基苯并噁唑鎓碘化物 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 3-乙基-2-甲基苯并噁唑鎓碘化物?
The CAS number of 3-乙基-2-甲基苯并噁唑鎓碘化物 is 5260-37-7.
What is the molecular formula of 3-乙基-2-甲基苯并噁唑鎓碘化物?
The molecular formula of 3-乙基-2-甲基苯并噁唑鎓碘化物 is C10H12INO.
What is the molecular weight of 3-乙基-2-甲基苯并噁唑鎓碘化物?
The molecular weight of 3-乙基-2-甲基苯并噁唑鎓碘化物 is 289.00 g/mol.
Where can I buy 3-乙基-2-甲基苯并噁唑鎓碘化物?
You can request a quote for 3-乙基-2-甲基苯并噁唑鎓碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙基-2-甲基苯并噁唑鎓碘化物?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基-2-甲基苯并噁唑鎓碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.