2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile
TL;DR: 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile (CAS 1164515-49-4) is a chemical compound with molecular formula C16H11N3O2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxyanilino)prop-2-enenitrile
Also Known As: BAS 00430559, 2-(1,3-benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile, 2-Benzooxazol-2-yl-3-(2-hydroxy-phenylamino)-acrylonitrile, (2E)-2-benzoxazol-2-yl-3-[(2-hydroxyphenyl)amino]prop-2-enenitrile, (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxyanilino)prop-2-enenitrile
| Molecular Formula | C16H11N3O2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 3.50998 |
| Topological Polar Surface Area | 82.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0851 |
| Heavy Atoms | 21 |
| Complexity | 826.08466 |
Chemical Identifiers
| CAS Number | 1164515-49-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=CC=CC=C3O)/C#N |
Product Overview
2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile (CAS 1164515-49-4), with molecular formula C16H11N3O2 and molecular weight 277.09 g/mol. IUPAC: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxyanilino)prop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile
Property Insights of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile
The XLogP value of 3.50998 indicates that 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile 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
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile?
The CAS number of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile is 1164515-49-4.
What is the molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile?
The molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile is C16H11N3O2.
What is the molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile?
The molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile is 277.09 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile?
You can request a quote for 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-yl)-3-(2-hydroxyanilino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.