3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-
TL;DR: 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- (CAS 117238-45-6) is a chemical compound with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)-hydroxymethyl]-1-benzofuran-3-carbonitrile
Also Known As: 2-((4-Chlorophenyl)hydroxymethyl)-3-benzofurancarbonitrile, 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-, 2-[(4-chlorophenyl)-hydroxymethyl]-1-benzofuran-3-carbonitrile, 2-[(4-CHLOROPHENYL)(HYDROXY)METHYL]-1-BENZOFURAN-3-CARBONITRILE
Technical Specifications
| Molecular Formula | C16H10ClNO2 |
| Molecular Weight | 283.04 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.04 Da |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(C3=CC=C(C=C3)Cl)O)C#N |
| InChIKey | GICXNOKADOQSSN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-
Property Insights of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-
The XLogP value of 3.5 indicates that 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- 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
What is the CAS number of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-?
The CAS number of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- is 117238-45-6.
What is the molecular formula of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-?
The molecular formula of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- is C16H10ClNO2.
What is the molecular weight of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-?
The molecular weight of 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- is 283.04 g/mol.
Where can I buy 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-?
You can request a quote for 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)-?
Yes, CoreyChem provides custom synthesis services for 3-Benzofurancarbonitrile, 2-((4-chlorophenyl)hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.