3-Benzoylbenzonitrile
TL;DR: 3-Benzoylbenzonitrile (CAS 6136-62-5) is a chemical compound with molecular formula C14H9NO and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoylbenzonitrile
Also Known As: 3-Benzoylbenzonitrile, 3-Cyanobenzophenone, 228-109-0, EINECS 228-109-0, RefChem:93046
| Molecular Formula | C14H9NO |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.06842 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 6136-62-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C#N |
| InChIKey | ICRUXLLOLAPKFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoylbenzonitrile (CAS 6136-62-5), with molecular formula C14H9NO and molecular weight 207.07 g/mol. IUPAC: 3-benzoylbenzonitrile.
Chemical Property Profile of 3-Benzoylbenzonitrile
Property Insights of 3-Benzoylbenzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoylbenzonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 3-Benzoylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoylbenzonitrile 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 3-Benzoylbenzonitrile?
The CAS number of 3-Benzoylbenzonitrile is 6136-62-5.
What is the molecular formula of 3-Benzoylbenzonitrile?
The molecular formula of 3-Benzoylbenzonitrile is C14H9NO.
What is the molecular weight of 3-Benzoylbenzonitrile?
The molecular weight of 3-Benzoylbenzonitrile is 207.07 g/mol.
Where can I buy 3-Benzoylbenzonitrile?
You can request a quote for 3-Benzoylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.