![N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/896/896169-18-9.png)
N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-18-9) is a chemical compound with molecular formula C33H32ClN3O and molecular weight 521.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N-(3-chlorophenyl)-4-(4-methylphenyl)-1-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C33H32ClN3O |
|---|---|
| Molecular Weight | 521.22 g/mol |
| LogP | 8.74862 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.2234 |
| Heavy Atoms | 38 |
| Complexity | 1638.8962 |
Chemical Identifiers
| CAS Number | 896169-18-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)C(C)C)C(=O)NC6=CC(=CC=C6)Cl |
Product Overview
N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-18-9), with molecular formula C33H32ClN3O and molecular weight 521.22 g/mol. IUPAC: N-(3-chlorophenyl)-2-(4-methylphenyl)-6-(4-propan-2-ylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 8.74862 indicates that N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-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-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-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-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-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-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 896169-18-9.
What is the molecular formula of N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C33H32ClN3O.
What is the molecular weight of N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 521.22 g/mol.
Where can I buy N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-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-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-1-(4-isopropylphenyl)-4-(p-tolyl)-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.