![4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/896/896168-74-4.png)
4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896168-74-4) is a chemical compound with molecular formula C33H33N3O4 and molecular weight 535.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C33H33N3O4 |
|---|---|
| Molecular Weight | 535.25 g/mol |
| LogP | 7.0793 |
| Topological Polar Surface Area | 66.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.24713 |
| Heavy Atoms | 40 |
| Complexity | 1663.172 |
Chemical Identifiers
| CAS Number | 896168-74-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6OC |
Product Overview
4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896168-74-4), with molecular formula C33H33N3O4 and molecular weight 535.25 g/mol. IUPAC: 2-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 7.0793 indicates that 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-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. The TPSA of 66.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide. Following Lipinski's Rule of Five, 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 896168-74-4.
What is the molecular formula of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C33H33N3O4.
What is the molecular weight of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 535.25 g/mol.
Where can I buy 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-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 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1-(4-methoxyphenyl)-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.