A3563/0151123
TL;DR: A3563/0151123 (CAS 459154-78-0) is a chemical compound with molecular formula C22H22ClN3O2 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-methylphenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: A3563/0151123, 2-(3-chloro-4-methylphenyl)-9-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(3-chloro-4-methylphenyl)-9-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C22H22ClN3O2 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 3.49244 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.14005 |
| Heavy Atoms | 28 |
| Complexity | 974.2472 |
Chemical Identifiers
| CAS Number | 459154-78-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)C)Cl)N5N2CCC5 |
Product Overview
A3563/0151123 (CAS 459154-78-0), with molecular formula C22H22ClN3O2 and molecular weight 395.14 g/mol. IUPAC: 4-(3-chloro-4-methylphenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of A3563/0151123
Property Insights of A3563/0151123
The XLogP value of 3.49244 indicates that A3563/0151123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, A3563/0151123 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3563/0151123 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 A3563/0151123?
The CAS number of A3563/0151123 is 459154-78-0.
What is the molecular formula of A3563/0151123?
The molecular formula of A3563/0151123 is C22H22ClN3O2.
What is the molecular weight of A3563/0151123?
The molecular weight of A3563/0151123 is 395.14 g/mol.
Where can I buy A3563/0151123?
You can request a quote for A3563/0151123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3563/0151123?
Yes, KEHONG BIO provides custom synthesis services for A3563/0151123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.