![Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) structure](/static/products/6381/63816-20-6.webp)
Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)
TL;DR: Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) (CAS 63816-20-6) is a chemical compound with molecular formula C16H14ClIN2O and molecular weight 411.98395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(6-chloro-3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide
Also Known As: 6-chloro-2-methyl-1,3-benzoxazole, Benzoxazolium, 6-chloro-3-methyl-2-(2-(phenylamino)ethenyl)-, iodide, Benzoxazolium, 6-chloro-3-methyl-2-(2-(phenylamino)ethenyl)-, iodide (1:1), Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide, Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)
Technical Specifications
| Molecular Formula | C16H14ClIN2O |
| Molecular Weight | 411.98395 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.98395 Da |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
| SMILES | C[N+]1=C(OC2=C1C=CC(=C2)Cl)C=CNC3=CC=CC=C3.[I-] |
| InChIKey | CDXRMIZXVXIAHC-UHFFFAOYSA-N |
Chemical Property Profile of Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)
Property Insights of Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1). With a topological polar surface area (TPSA) of 29.1 Ų, Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) 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 Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)?
The CAS number of Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) is 63816-20-6.
What is the molecular formula of Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)?
The molecular formula of Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) is C16H14ClIN2O.
What is the molecular weight of Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)?
The molecular weight of Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) is 411.98395 g/mol.
Where can I buy Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)?
You can request a quote for Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzoxazolium, 6-chloro-3-methyl-2-[2-(phenylamino)ethenyl]-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.