![(5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone structure](/static/products/1098/1098-69-7.webp)
(5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone
TL;DR: (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone (CAS 1098-69-7) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone
Also Known As: (5-benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone, (2,5-Diazabicyclo[2.2.2]octane-2,5-diyl)bis(phenylmethanone), (5-benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanon
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 1098-69-7 |
|---|---|
| SMILES | C1CC2CN(C1CN2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
| InChIKey | UXMQOMVOTBFRSO-UHFFFAOYSA-N |
Product Overview
(5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone (CAS 1098-69-7), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: (5-benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone.
Chemical Property Profile of (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone
Property Insights of (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone. With a topological polar surface area (TPSA) of 40.6 Ų, (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone 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 (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone?
The CAS number of (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone is 1098-69-7.
What is the molecular formula of (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone?
The molecular formula of (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone is C20H20N2O2.
What is the molecular weight of (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone?
The molecular weight of (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone is 320.15 g/mol.
Where can I buy (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone?
You can request a quote for (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Benzoyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.