3-Amino-1-benzofuran-2-carbonitrile
TL;DR: 3-Amino-1-benzofuran-2-carbonitrile (CAS 189442-78-2) is a chemical compound with molecular formula C9H6N2O and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-benzofuran-2-carbonitrile
Also Known As: 3-amino-1-benzofuran-2-carbonitrile, 3-Aminobenzofuran-2-carbonitrile, 3-amino-2-benzofurancarbonitrile, 3-Amino-benzofuran-2-carbonitrile, 2-Benzofurancarbonitrile,3-amino-
| Molecular Formula | C9H6N2O |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 1.88668 |
| Topological Polar Surface Area | 62.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.04802 |
| Heavy Atoms | 12 |
| Complexity | 464.82355 |
Chemical Identifiers
| CAS Number | 189442-78-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C#N)N |
Product Overview
3-Amino-1-benzofuran-2-carbonitrile (CAS 189442-78-2), with molecular formula C9H6N2O and molecular weight 158.05 g/mol. IUPAC: 3-amino-1-benzofuran-2-carbonitrile.
Chemical Property Profile of 3-Amino-1-benzofuran-2-carbonitrile
Property Insights of 3-Amino-1-benzofuran-2-carbonitrile
The XLogP value of 1.88668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-benzofuran-2-carbonitrile. The TPSA of 62.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-benzofuran-2-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1-benzofuran-2-carbonitrile has 1 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-Amino-1-benzofuran-2-carbonitrile?
The CAS number of 3-Amino-1-benzofuran-2-carbonitrile is 189442-78-2.
What is the molecular formula of 3-Amino-1-benzofuran-2-carbonitrile?
The molecular formula of 3-Amino-1-benzofuran-2-carbonitrile is C9H6N2O.
What is the molecular weight of 3-Amino-1-benzofuran-2-carbonitrile?
The molecular weight of 3-Amino-1-benzofuran-2-carbonitrile is 158.05 g/mol.
Where can I buy 3-Amino-1-benzofuran-2-carbonitrile?
You can request a quote for 3-Amino-1-benzofuran-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-benzofuran-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-benzofuran-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.