![4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione structure](/static/products/4443/444336-88-3.webp)
4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
TL;DR: 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS 444336-88-3) is a chemical compound with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(azepane-1-carbonyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 2-[3-(azepan-1-ylcarbonyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-(3-(azepane-1-carbonyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-[3-(1-AZEPANYLCARBONYL)PHENYL]-3A,4,7,7A-TETRAHYDRO-1H-4,7-METHANOISOINDOLE-1,3(2H)-DIONE
| Molecular Formula | C22H24N2O3 |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 3.0143 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.17868 |
| Heavy Atoms | 27 |
| Complexity | 807.7146 |
Chemical Identifiers
| CAS Number | 444336-88-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione (CAS 444336-88-3), with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol. IUPAC: 4-[3-(azepane-1-carbonyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
Property Insights of 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
The XLogP value of 3.0143 indicates that 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione 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 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
The CAS number of 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is 444336-88-3.
What is the molecular formula of 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
The molecular formula of 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is C22H24N2O3.
What is the molecular weight of 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
The molecular weight of 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione is 364.18 g/mol.
Where can I buy 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
You can request a quote for 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(1-azepanylcarbonyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.