![3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide structure](/static/products/6812/68123-41-1.webp)
3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide
TL;DR: 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide (CAS 68123-41-1) is a chemical compound with molecular formula C18H17BrN2O3 and molecular weight 388.04224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid bromide
Also Known As: Benzoxazolium, 3-(2-carboxyethyl)-2-[2-(phenylamino)ethenyl]-, bromide, 3-[2-(2-anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide, 2-(2-ANILINOVINYL)-3-(2-CARBOXYETHYL)BENZOXAZOLIUM BROMIDE, 2-(beta-Anilinovinyl)-3-(beta-carboxyethyl)benzoxazolium bromide, 3-(2-carboxyethyl)-2-[2-(phenylamino)vinyl]benzoxazolium bromide
Technical Specifications
| Molecular Formula | C18H17BrN2O3 |
| Molecular Weight | 388.04224 g/mol |
| XLogP | 0.28 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.04224 Da |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
| SMILES | C1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3O2)CCC(=O)O.[Br-] |
| InChIKey | AAALAKZAIRHZIX-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide
Property Insights of 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide
The XLogP value of 0.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide. Following Lipinski's Rule of Five, 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide has 2 hydrogen bond donor(s) and 5 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-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide?
The CAS number of 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide is 68123-41-1.
What is the molecular formula of 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide?
The molecular formula of 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide is C18H17BrN2O3.
What is the molecular weight of 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide?
The molecular weight of 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide is 388.04224 g/mol.
Where can I buy 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide?
You can request a quote for 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide?
Yes, CoreyChem provides custom synthesis services for 3-[2-(2-Anilinoethenyl)-1,3-benzoxazol-3-ium-3-yl]propanoic acid;bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.