![N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/896/896169-17-8.png)
N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-17-8) is a chemical compound with molecular formula C31H28ClN3O and molecular weight 493.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C31H28ClN3O |
|---|---|
| Molecular Weight | 493.19 g/mol |
| LogP | 7.93364 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.19208 |
| Heavy Atoms | 36 |
| Complexity | 1593.1573 |
Chemical Identifiers
| CAS Number | 896169-17-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)Cl)C |
Product Overview
N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-17-8), with molecular formula C31H28ClN3O and molecular weight 493.19 g/mol. IUPAC: N-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 7.93364 indicates that N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 896169-17-8.
What is the molecular formula of N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C31H28ClN3O.
What is the molecular weight of N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 493.19 g/mol.
Where can I buy N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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.