![2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile structure](/static/products/3039/303995-51-9.webp)
2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile
TL;DR: 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile (CAS 303995-51-9) is a chemical compound with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile
Also Known As: 12B-082, 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile, 2-({[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}amino)benzonitrile, 2-[(3-oxo-2-benzofuran-1-ylidene)methylamino]benzonitrile, 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile
| Molecular Formula | C16H10N2O2 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 3.76068 |
| Topological Polar Surface Area | 69.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.07422 |
| Heavy Atoms | 20 |
| Complexity | 841.0493 |
Chemical Identifiers
| CAS Number | 303995-51-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N=CC2=C3C=CC=CC3=C(O2)O |
Product Overview
2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile (CAS 303995-51-9), with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol. IUPAC: 2-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]benzonitrile.
Chemical Property Profile of 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile
Property Insights of 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile
The XLogP value of 3.76068 indicates that 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile. Following Lipinski's Rule of Five, 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile 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-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile?
The CAS number of 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile is 303995-51-9.
What is the molecular formula of 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile?
The molecular formula of 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile is C16H10N2O2.
What is the molecular weight of 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile?
The molecular weight of 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile is 262.07 g/mol.
Where can I buy 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile?
You can request a quote for 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({[3-oxo-2-benzofuran-1(3H)-yliden]methyl}amino)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.