3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium
TL;DR: 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium (CAS 63467-98-1) is a chemical compound with molecular formula C16H16NO+ and molecular weight 238.12318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium
Also Known As: 3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium, 3-Ethyl-2-methyl-5-phenylbenzoxazolium, BAS 00669828, 3-Ethyl-2-methyl-5-phenylbenzoxazol-3-ium, 3-Ethyl-2-methyl-5-phenyl-benzooxazol-3-ium
Technical Specifications
| Molecular Formula | C16H16NO+ |
| Molecular Weight | 238.12318 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 17.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.12318 Da |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
| SMILES | CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C |
| InChIKey | RCJIJPZYPFGZEW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium
Property Insights of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium
The XLogP value of 4.2 indicates that 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.0 Ų, 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium?
The CAS number of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium is 63467-98-1.
What is the molecular formula of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium?
The molecular formula of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium is C16H16NO+.
What is the molecular weight of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium?
The molecular weight of 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium is 238.12318 g/mol.
Where can I buy 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium?
You can request a quote for 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.