2,6-Dibenzoylbenzonitrile
TL;DR: 2,6-Dibenzoylbenzonitrile (CAS 400089-37-4) is a chemical compound with molecular formula C21H13NO2 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dibenzoylbenzonitrile
Also Known As: 2,6-dibenzoylbenzonitrile, 2,6-dibenzoylbenzenecarbonitrile, 9K-027
| Molecular Formula | C21H13NO2 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 4.02028 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.09464 |
| Heavy Atoms | 24 |
| Complexity | 868.8277 |
Chemical Identifiers
| CAS Number | 400089-37-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)C(=O)C3=CC=CC=C3)C#N |
Product Overview
2,6-Dibenzoylbenzonitrile (CAS 400089-37-4), with molecular formula C21H13NO2 and molecular weight 311.09 g/mol. IUPAC: 2,6-dibenzoylbenzonitrile.
Chemical Property Profile of 2,6-Dibenzoylbenzonitrile
Property Insights of 2,6-Dibenzoylbenzonitrile
The XLogP value of 4.02028 indicates that 2,6-Dibenzoylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, 2,6-Dibenzoylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibenzoylbenzonitrile 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 2,6-Dibenzoylbenzonitrile?
The CAS number of 2,6-Dibenzoylbenzonitrile is 400089-37-4.
What is the molecular formula of 2,6-Dibenzoylbenzonitrile?
The molecular formula of 2,6-Dibenzoylbenzonitrile is C21H13NO2.
What is the molecular weight of 2,6-Dibenzoylbenzonitrile?
The molecular weight of 2,6-Dibenzoylbenzonitrile is 311.09 g/mol.
Where can I buy 2,6-Dibenzoylbenzonitrile?
You can request a quote for 2,6-Dibenzoylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibenzoylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibenzoylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.