A3562/0151104
TL;DR: A3562/0151104 (CAS 1005100-62-8) is a chemical compound with molecular formula C22H22BrN3O2 and molecular weight 439.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-bromophenyl)-4-(4-ethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: A3562/0151104, 9-(4-bromophenyl)-2-(4-ethylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 9-(4-bromophenyl)-2-(4-ethylphenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C22H22BrN3O2 |
|---|---|
| Molecular Weight | 439.09 g/mol |
| LogP | 3.5471 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.08954 |
| Heavy Atoms | 28 |
| Complexity | 927.803 |
Chemical Identifiers
| CAS Number | 1005100-62-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=C(C=C5)Br |
Product Overview
A3562/0151104 (CAS 1005100-62-8), with molecular formula C22H22BrN3O2 and molecular weight 439.09 g/mol. IUPAC: 7-(4-bromophenyl)-4-(4-ethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of A3562/0151104
Property Insights of A3562/0151104
The XLogP value of 3.5471 indicates that A3562/0151104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, A3562/0151104 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3562/0151104 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3562/0151104?
The CAS number of A3562/0151104 is 1005100-62-8.
What is the molecular formula of A3562/0151104?
The molecular formula of A3562/0151104 is C22H22BrN3O2.
What is the molecular weight of A3562/0151104?
The molecular weight of A3562/0151104 is 439.09 g/mol.
Where can I buy A3562/0151104?
You can request a quote for A3562/0151104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3562/0151104?
Yes, KEHONG BIO provides custom synthesis services for A3562/0151104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.