![2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide structure](/static/products/1456/145687-07-6.webp)
2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
TL;DR: 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide (CAS 145687-07-6) is a chemical compound with molecular formula C42H63IN2O2 and molecular weight 754.39343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
Also Known As: 2-[3-(3-Docosyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-3-propyl-3H-1,3-benzoxazol-1-ium iodide
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C42H63IN2O2 |
| Molecular Weight | 754.39343 g/mol |
| XLogP | 9.7098 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 754.39343 Da |
| Heavy Atoms | 47 |
| Complexity | 826.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCC.[I-] |
| InChIKey | YNBJCQVKLIMGKE-UHFFFAOYSA-M |
Chemical Property Profile of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
Property Insights of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
The XLogP value of 9.7098 indicates that 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide?
The CAS number of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide is 145687-07-6.
What is the molecular formula of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide?
The molecular formula of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide is C42H63IN2O2.
What is the molecular weight of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide?
The molecular weight of 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide is 754.39343 g/mol.
Where can I buy 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide?
You can request a quote for 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide?
Yes, CoreyChem provides custom synthesis services for 2-[3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.