![1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide structure](/static/products/896/896169-13-4.png)
1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
TL;DR: 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-13-4) is a chemical compound with molecular formula C32H31N3O and molecular weight 473.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethylphenyl)-N-(4-methylphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, 1-(3,4-dimethylphenyl)-N-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C32H31N3O |
|---|---|
| Molecular Weight | 473.25 g/mol |
| LogP | 7.58866 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.2467 |
| Heavy Atoms | 36 |
| Complexity | 1586.7374 |
Chemical Identifiers
| CAS Number | 896169-13-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC(=C(C=C6)C)C |
Product Overview
1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 896169-13-4), with molecular formula C32H31N3O and molecular weight 473.25 g/mol. IUPAC: 6-(3,4-dimethylphenyl)-N-(4-methylphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Property Insights of 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
The XLogP value of 7.58866 indicates that 1-(3,4-dimethylphenyl)-4-phenyl-N-(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, 1-(3,4-dimethylphenyl)-4-phenyl-N-(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, 1-(3,4-dimethylphenyl)-4-phenyl-N-(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 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The CAS number of 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 896169-13-4.
What is the molecular formula of 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular formula of 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C32H31N3O.
What is the molecular weight of 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
The molecular weight of 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 473.25 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
You can request a quote for 1-(3,4-dimethylphenyl)-4-phenyl-N-(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 1-(3,4-dimethylphenyl)-4-phenyl-N-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethylphenyl)-4-phenyl-N-(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.