A3562/0151109
TL;DR: A3562/0151109 (CAS 1005188-25-9) is a chemical compound with molecular formula C20H17ClFN3O2 and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: A3562/0151109, 2-(3-chlorophenyl)-9-(4-fluorophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 2-(3-chlorophenyl)-9-(4-fluorophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C20H17ClFN3O2 |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 3.0147 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.09933 |
| Heavy Atoms | 27 |
| Complexity | 935.079 |
Chemical Identifiers
| CAS Number | 1005188-25-9 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
A3562/0151109 (CAS 1005188-25-9), with molecular formula C20H17ClFN3O2 and molecular weight 385.10 g/mol. IUPAC: 4-(3-chlorophenyl)-7-(4-fluorophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of A3562/0151109
Property Insights of A3562/0151109
The XLogP value of 3.0147 indicates that A3562/0151109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, A3562/0151109 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3562/0151109 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 A3562/0151109?
The CAS number of A3562/0151109 is 1005188-25-9.
What is the molecular formula of A3562/0151109?
The molecular formula of A3562/0151109 is C20H17ClFN3O2.
What is the molecular weight of A3562/0151109?
The molecular weight of A3562/0151109 is 385.10 g/mol.
Where can I buy A3562/0151109?
You can request a quote for A3562/0151109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3562/0151109?
Yes, KEHONG BIO provides custom synthesis services for A3562/0151109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.