3-己基-2-甲基苯并噁唑鎓碘化物(1:1)
TL;DR: 3-己基-2-甲基苯并噁唑鎓碘化物(1:1) (CAS 54443-90-2) is a chemical compound with molecular formula C14H20INO and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-己基-2-甲基苯并噁唑鎓碘化物(1:1)
3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide
Also Known As: Benzoxazolium, 3-hexyl-2-methyl-, iodide, 1-Hexyl-2-methylbenzoxazolium iodide, 3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide, 3-hexyl-2-methyl benzoxazolium iodide, Benzoxazolium, 3-hexyl-2-methyl-, iodide (1:1)
| Molecular Formula | C14H20INO |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 0.61 |
| Topological Polar Surface Area | 17.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.05896 |
| Heavy Atoms | 17 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 54443-90-2 |
|---|---|
| SMILES | CCCCCC[N+]1=C(OC2=CC=CC=C21)C.[I-] |
| InChIKey | JODPCJBSBVRLEF-UHFFFAOYSA-M |
Product Overview
3-己基-2-甲基苯并噁唑鎓碘化物(1:1) (CAS 54443-90-2), with molecular formula C14H20INO and molecular weight 345.06 g/mol. IUPAC: 3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide.
Chemical Property Profile of 3-己基-2-甲基苯并噁唑鎓碘化物(1:1)
Property Insights of 3-己基-2-甲基苯并噁唑鎓碘化物(1:1)
The XLogP value of 0.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-己基-2-甲基苯并噁唑鎓碘化物(1:1). With a topological polar surface area (TPSA) of 17.0 Ų, 3-己基-2-甲基苯并噁唑鎓碘化物(1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-己基-2-甲基苯并噁唑鎓碘化物(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 3-己基-2-甲基苯并噁唑鎓碘化物(1:1)?
The CAS number of 3-己基-2-甲基苯并噁唑鎓碘化物(1:1) is 54443-90-2.
What is the molecular formula of 3-己基-2-甲基苯并噁唑鎓碘化物(1:1)?
The molecular formula of 3-己基-2-甲基苯并噁唑鎓碘化物(1:1) is C14H20INO.
What is the molecular weight of 3-己基-2-甲基苯并噁唑鎓碘化物(1:1)?
The molecular weight of 3-己基-2-甲基苯并噁唑鎓碘化物(1:1) is 345.06 g/mol.
Where can I buy 3-己基-2-甲基苯并噁唑鎓碘化物(1:1)?
You can request a quote for 3-己基-2-甲基苯并噁唑鎓碘化物(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-己基-2-甲基苯并噁唑鎓碘化物(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-己基-2-甲基苯并噁唑鎓碘化物(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.