![1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one structure](/static/products/488/488111-24-6.png)
1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one
TL;DR: 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one (CAS 488111-24-6) is a chemical compound with molecular formula C27H28N2O and molecular weight 396.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]butan-1-one
Also Known As: 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one, 1-[4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
| Molecular Formula | C27H28N2O |
|---|---|
| Molecular Weight | 396.22 g/mol |
| LogP | 6.70232 |
| Topological Polar Surface Area | 26.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.22015 |
| Heavy Atoms | 30 |
| Complexity | 1209.7222 |
Chemical Identifiers
| CAS Number | 488111-24-6 |
|---|---|
| SMILES | CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)C)C5=CC=CC=C5 |
Product Overview
1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one (CAS 488111-24-6), with molecular formula C27H28N2O and molecular weight 396.22 g/mol. IUPAC: 1-[2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]butan-1-one.
Chemical Property Profile of 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one
Property Insights of 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one
The XLogP value of 6.70232 indicates that 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.41 Ų, 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one has 0 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-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one?
The CAS number of 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one is 488111-24-6.
What is the molecular formula of 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one?
The molecular formula of 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one is C27H28N2O.
What is the molecular weight of 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one?
The molecular weight of 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one is 396.22 g/mol.
Where can I buy 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one?
You can request a quote for 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.