![1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/896/896169-03-2.png)
1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-03-2) is a chemical compound with molecular formula C33H33N3O3 and molecular weight 519.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C33H33N3O3 |
|---|---|
| Molecular Weight | 519.25 g/mol |
| LogP | 7.37912 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.2522 |
| Heavy Atoms | 39 |
| Complexity | 1642.8508 |
Chemical Identifiers
| CAS Number | 896169-03-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=C(C=C5)C)C(=O)NC6=CC=CC=C6OC |
Product Overview
1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-03-2), with molecular formula C33H33N3O3 and molecular weight 519.25 g/mol. IUPAC: 6-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 7.37912 indicates that 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-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 56.9 Ų, 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-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, 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 896169-03-2.
What is the molecular formula of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C33H33N3O3.
What is the molecular weight of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 519.25 g/mol.
Where can I buy 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-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 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-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.