A3563/0151121
TL;DR: A3563/0151121 (CAS 1005095-45-3) is a chemical compound with molecular formula C20H16Cl3N3O2 and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: A3563/0151121, 9-(4-chlorophenyl)-2-(3,4-dichlorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 9-(4-chlorophenyl)-2-(3,4-dichlorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C20H16Cl3N3O2 |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | 4.1824 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.03082 |
| Heavy Atoms | 28 |
| Complexity | 981.16125 |
Chemical Identifiers
| CAS Number | 1005095-45-3 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)Cl |
Product Overview
A3563/0151121 (CAS 1005095-45-3), with molecular formula C20H16Cl3N3O2 and molecular weight 435.03 g/mol. IUPAC: 7-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of A3563/0151121
Property Insights of A3563/0151121
The XLogP value of 4.1824 indicates that A3563/0151121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, A3563/0151121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3563/0151121 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 A3563/0151121?
The CAS number of A3563/0151121 is 1005095-45-3.
What is the molecular formula of A3563/0151121?
The molecular formula of A3563/0151121 is C20H16Cl3N3O2.
What is the molecular weight of A3563/0151121?
The molecular weight of A3563/0151121 is 435.03 g/mol.
Where can I buy A3563/0151121?
You can request a quote for A3563/0151121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3563/0151121?
Yes, KEHONG BIO provides custom synthesis services for A3563/0151121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.