![1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide structure](/static/products/3259/325995-65-1.webp)
1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
TL;DR: 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide (CAS 325995-65-1) is a chemical compound with molecular formula C28H22BrClN4O and molecular weight 544.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-N-(4-chlorophenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide, 4-(4-bromophenyl)-N-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C28H22BrClN4O |
|---|---|
| Molecular Weight | 544.07 g/mol |
| LogP | 7.4743 |
| Topological Polar Surface Area | 51.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 544.0665 |
| Heavy Atoms | 35 |
| Complexity | 1536.6926 |
Chemical Identifiers
| CAS Number | 325995-65-1 |
|---|---|
| SMILES | C1CCN2C3=C(C1)C(=C(N3N=C2C4=CC=C(C=C4)Br)C(=O)NC5=CC=C(C=C5)Cl)C6=CC=CC=C6 |
Product Overview
1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide (CAS 325995-65-1), with molecular formula C28H22BrClN4O and molecular weight 544.07 g/mol. IUPAC: 2-(4-bromophenyl)-N-(4-chlorophenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Property Insights of 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
The XLogP value of 7.4743 indicates that 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.33 Ų, 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide 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 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide?
The CAS number of 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide is 325995-65-1.
What is the molecular formula of 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide?
The molecular formula of 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide is C28H22BrClN4O.
What is the molecular weight of 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide?
The molecular weight of 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide is 544.07 g/mol.
Where can I buy 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide?
You can request a quote for 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-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-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.