![4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide structure](/static/products/540/540774-15-0.png)
4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
TL;DR: 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide (CAS 540774-15-0) is a chemical compound with molecular formula C32H32N4S and molecular weight 504.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-ethylphenyl)-N-(3-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide, 1-(4-ethylphenyl)-N-(m-tolyl)-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide
| Molecular Formula | C32H32N4S |
|---|---|
| Molecular Weight | 504.23 g/mol |
| LogP | 7.77294 |
| Topological Polar Surface Area | 34.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.23477 |
| Heavy Atoms | 37 |
| Complexity | 1603.8746 |
Chemical Identifiers
| CAS Number | 540774-15-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=CC=C(C=C5)C)C(=S)NC6=CC=CC(=C6)C |
Product Overview
4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide (CAS 540774-15-0), with molecular formula C32H32N4S and molecular weight 504.23 g/mol. IUPAC: 6-(4-ethylphenyl)-N-(3-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
Chemical Property Profile of 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Property Insights of 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
The XLogP value of 7.77294 indicates that 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.26 Ų, 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide 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 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The CAS number of 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is 540774-15-0.
What is the molecular formula of 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The molecular formula of 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is C32H32N4S.
What is the molecular weight of 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
The molecular weight of 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide is 504.23 g/mol.
Where can I buy 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
You can request a quote for 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.