![(3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone structure](/static/products/1042/1042-91-7.webp)
(3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone
TL;DR: (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone (CAS 1042-91-7) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone
Also Known As: AE-508/36398039, 2,3-dibenzoyl-2,3-diazabicyclo[2.2.1]hept-5-ene, (3-benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone, (2,3-Diazabicyclo[2.2.1]hept-5-ene-2,3-diyl)bis(phenylmethanone), (3-benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmeth
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 1042-91-7 |
|---|---|
| SMILES | C1C2C=CC1N(N2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
| InChIKey | OADDZCQHRNUEJA-UHFFFAOYSA-N |
Product Overview
(3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone (CAS 1042-91-7), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: (3-benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone.
Chemical Property Profile of (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone
Property Insights of (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone
The XLogP value of 3.2 indicates that (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-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 (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone?
The CAS number of (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone is 1042-91-7.
What is the molecular formula of (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone?
The molecular formula of (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone is C19H16N2O2.
What is the molecular weight of (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone?
The molecular weight of (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone is 304.12 g/mol.
Where can I buy (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone?
You can request a quote for (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-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 (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Benzoyl-2,3-diazabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.