2-(5-Benzoylthiophen-2-yl)acetonitrile
TL;DR: 2-(5-Benzoylthiophen-2-yl)acetonitrile (CAS 303144-54-9) is a chemical compound with molecular formula C13H9NOS and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-benzoylthiophen-2-yl)acetonitrile
Also Known As: 2-(5-benzoylthiophen-2-yl)acetonitrile, 2-(5-benzoyl-2-thienyl)acetonitrile, benzoylthienylacetonitrile, 2-[5-(phenylcarbonyl)-2-thienyl]ethanenitrile
| Molecular Formula | C13H9NOS |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 3.04518 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.04048 |
| Heavy Atoms | 16 |
| Complexity | 536.5603 |
Chemical Identifiers
| CAS Number | 303144-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(S2)CC#N |
Product Overview
2-(5-Benzoylthiophen-2-yl)acetonitrile (CAS 303144-54-9), with molecular formula C13H9NOS and molecular weight 227.04 g/mol. IUPAC: 2-(5-benzoylthiophen-2-yl)acetonitrile.
Chemical Property Profile of 2-(5-Benzoylthiophen-2-yl)acetonitrile
Property Insights of 2-(5-Benzoylthiophen-2-yl)acetonitrile
The XLogP value of 3.04518 indicates that 2-(5-Benzoylthiophen-2-yl)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-(5-Benzoylthiophen-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Benzoylthiophen-2-yl)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-(5-Benzoylthiophen-2-yl)acetonitrile?
The CAS number of 2-(5-Benzoylthiophen-2-yl)acetonitrile is 303144-54-9.
What is the molecular formula of 2-(5-Benzoylthiophen-2-yl)acetonitrile?
The molecular formula of 2-(5-Benzoylthiophen-2-yl)acetonitrile is C13H9NOS.
What is the molecular weight of 2-(5-Benzoylthiophen-2-yl)acetonitrile?
The molecular weight of 2-(5-Benzoylthiophen-2-yl)acetonitrile is 227.04 g/mol.
Where can I buy 2-(5-Benzoylthiophen-2-yl)acetonitrile?
You can request a quote for 2-(5-Benzoylthiophen-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Benzoylthiophen-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Benzoylthiophen-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.