1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
TL;DR: 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile (CAS 64169-67-1) is a chemical compound with molecular formula C15H10FNO and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Also Known As: 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, 1-(4-Fluorophenyl)-5-cyanophthalan, 1-(4-fluorophenyl)-1,3-dihydro-isobenzofuran-5-Carbonitrile, rac-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
| Molecular Formula | C15H10FNO |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 3.31698 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.07465 |
| Heavy Atoms | 18 |
| Complexity | 627.9321 |
Chemical Identifiers
| CAS Number | 64169-67-1 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)C#N)C(O1)C3=CC=C(C=C3)F |
Product Overview
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile (CAS 64169-67-1), with molecular formula C15H10FNO and molecular weight 239.07 g/mol. IUPAC: 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile.
Chemical Property Profile of 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
Property Insights of 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
The XLogP value of 3.31698 indicates that 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile has 0 hydrogen bond donor(s) and 2 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 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile?
The CAS number of 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile is 64169-67-1.
What is the molecular formula of 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile?
The molecular formula of 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile is C15H10FNO.
What is the molecular weight of 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile?
The molecular weight of 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile is 239.07 g/mol.
Where can I buy 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile?
You can request a quote for 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.