![N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/847/847859-35-2.png)
N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 847859-35-2) is a chemical compound with molecular formula C29H23ClFN3O and molecular weight 483.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C29H23ClFN3O |
|---|---|
| Molecular Weight | 483.15 g/mol |
| LogP | 7.4559 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.15137 |
| Heavy Atoms | 35 |
| Complexity | 1533.6622 |
Chemical Identifiers
| CAS Number | 847859-35-2 |
|---|---|
| SMILES | C1CCN2C(=CN3C2=C(C1)C(=C3C(=O)NC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F)C6=CC=CC=C6 |
Product Overview
N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 847859-35-2), with molecular formula C29H23ClFN3O and molecular weight 483.15 g/mol. IUPAC: N-(4-chlorophenyl)-6-(4-fluorophenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 7.4559 indicates that N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.44 Ų, N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide has 1 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 N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 847859-35-2.
What is the molecular formula of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C29H23ClFN3O.
What is the molecular weight of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 483.15 g/mol.
Where can I buy N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-1-(4-fluorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.