![N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/896/896168-35-7.png)
N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896168-35-7) is a chemical compound with molecular formula C31H27Cl2N3O2 and molecular weight 543.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-6-(4-ethoxyphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C31H27Cl2N3O2 |
|---|---|
| Molecular Weight | 543.15 g/mol |
| LogP | 8.3689 |
| Topological Polar Surface Area | 47.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.148 |
| Heavy Atoms | 38 |
| Complexity | 1635.9845 |
Chemical Identifiers
| CAS Number | 896168-35-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC(=C(C=C6)Cl)Cl |
Product Overview
N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896168-35-7), with molecular formula C31H27Cl2N3O2 and molecular weight 543.15 g/mol. IUPAC: N-(3,4-dichlorophenyl)-6-(4-ethoxyphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 8.3689 indicates that N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-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 47.67 Ų, N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-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-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 896168-35-7.
What is the molecular formula of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C31H27Cl2N3O2.
What is the molecular weight of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 543.15 g/mol.
Where can I buy N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-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-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-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.