2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile
TL;DR: 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile (CAS 339012-98-5) is a chemical compound with molecular formula C19H13NOS and molecular weight 303.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile
Also Known As: 2-(4-benzoylphenyl)-2-(2-thienyl)acetonitrile, Bionet2_000807, 2-(4-benzoylphenyl)-2-(thiophen-2-yl)acetonitrile, 2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile, (4-Benzoylphenyl)(thiophen-2-yl)acetonitrile
| Molecular Formula | C19H13NOS |
|---|---|
| Molecular Weight | 303.07 g/mol |
| LogP | 4.63458 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.07178 |
| Heavy Atoms | 22 |
| Complexity | 798.90137 |
Chemical Identifiers
| CAS Number | 339012-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C#N)C3=CC=CS3 |
Product Overview
2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile (CAS 339012-98-5), with molecular formula C19H13NOS and molecular weight 303.07 g/mol. IUPAC: 2-(4-benzoylphenyl)-2-thiophen-2-ylacetonitrile.
Chemical Property Profile of 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile
Property Insights of 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile
The XLogP value of 4.63458 indicates that 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile has 0 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 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile?
The CAS number of 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile is 339012-98-5.
What is the molecular formula of 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile?
The molecular formula of 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile is C19H13NOS.
What is the molecular weight of 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile?
The molecular weight of 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile is 303.07 g/mol.
Where can I buy 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile?
You can request a quote for 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Benzoylphenyl)-2-(2-thienyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.