2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile
TL;DR: 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile (CAS 1351366-69-2) is a chemical compound with molecular formula C16H10ClN3O and molecular weight 295.05 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-chloroanilino)prop-2-enenitrile
Also Known As: 2-(1,3-benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile, (E)-2-(1,3-benzoxazol-2-yl)-3-(2-chloroanilino)prop-2-enenitrile
| Molecular Formula | C16H10ClN3O |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 4.45778 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.05124 |
| Heavy Atoms | 21 |
| Complexity | 828.08466 |
Chemical Identifiers
| CAS Number | 1351366-69-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)/C(=C/NC3=CC=CC=C3Cl)/C#N |
Product Overview
2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile (CAS 1351366-69-2), with molecular formula C16H10ClN3O and molecular weight 295.05 g/mol. IUPAC: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-chloroanilino)prop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile
Property Insights of 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile
The XLogP value of 4.45778 indicates that 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile has 1 hydrogen bond donor(s) and 4 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-chloroanilino)acrylonitrile?
The CAS number of 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile is 1351366-69-2.
What is the molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile?
The molecular formula of 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile is C16H10ClN3O.
What is the molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile?
The molecular weight of 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile is 295.05 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile?
You can request a quote for 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)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-chloroanilino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-yl)-3-(2-chloroanilino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.