![3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium structure](/static/products/7799/779985-90-9.webp)
3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium
TL;DR: 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium (CAS 779985-90-9) is a chemical compound with molecular formula C18H17N2O3+ and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-2-anilinoethenyl]-1,3-benzoxazol-3-ium-3-yl]propanoic acid
Also Known As: BAS 00009384, 3-(2-Carboxyethyl)-2-[2-(phenylamino)ethenyl]benzoxazolium, Benzoxazolium, 3-(2-carboxyethyl)-2-[2-(phenylamino)ethenyl]-, 3-(2-Carboxy-ethyl)-2-(2-phenylamino-vinyl)-benzooxazol-3-ium, 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium
| Molecular Formula | C18H17N2O3+ |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 3.2778 |
| Topological Polar Surface Area | 66.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.12393 |
| Heavy Atoms | 23 |
| Complexity | 837.8538 |
Chemical Identifiers
| CAS Number | 779985-90-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3O2)CCC(=O)O |
Product Overview
3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium (CAS 779985-90-9), with molecular formula C18H17N2O3+ and molecular weight 309.12 g/mol. IUPAC: 3-[2-[(E)-2-anilinoethenyl]-1,3-benzoxazol-3-ium-3-yl]propanoic acid.
Chemical Property Profile of 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium
Property Insights of 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium
The XLogP value of 3.2778 indicates that 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium. Following Lipinski's Rule of Five, 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium has 2 hydrogen bond donor(s) and 3 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-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium?
The CAS number of 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium is 779985-90-9.
What is the molecular formula of 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium?
The molecular formula of 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium is C18H17N2O3+.
What is the molecular weight of 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium?
The molecular weight of 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium is 309.12 g/mol.
Where can I buy 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium?
You can request a quote for 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-carboxyethyl)-2-[(E)-2-(phenylamino)ethenyl]-1,3-benzoxazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.