![1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone structure](/static/products/848/848871-16-9.png)
1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone
TL;DR: 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone (CAS 848871-16-9) is a chemical compound with molecular formula C24H19Cl2FN2O and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dichlorophenyl)-6-(4-fluorophenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]ethanone
Also Known As: 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone, 1-[4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone
| Molecular Formula | C24H19Cl2FN2O |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 7.0596 |
| Topological Polar Surface Area | 26.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.08585 |
| Heavy Atoms | 30 |
| Complexity | 1301.4824 |
Chemical Identifiers
| CAS Number | 848871-16-9 |
|---|---|
| SMILES | CC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)F |
Product Overview
1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone (CAS 848871-16-9), with molecular formula C24H19Cl2FN2O and molecular weight 440.09 g/mol. IUPAC: 1-[2-(3,4-dichlorophenyl)-6-(4-fluorophenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]ethanone.
Chemical Property Profile of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone
Property Insights of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone
The XLogP value of 7.0596 indicates that 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.41 Ų, 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone?
The CAS number of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone is 848871-16-9.
What is the molecular formula of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone?
The molecular formula of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone is C24H19Cl2FN2O.
What is the molecular weight of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone?
The molecular weight of 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone is 440.09 g/mol.
Where can I buy 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone?
You can request a quote for 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.