A3562/0151107
TL;DR: A3562/0151107 (CAS 1005046-59-2) is a chemical compound with molecular formula C21H20FN3O2 and molecular weight 365.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: A3562/0151107, 9-(4-fluorophenyl)-2-(4-methylphenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 9-(4-fluorophenyl)-2-(p-tolyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C21H20FN3O2 |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 2.66972 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.15396 |
| Heavy Atoms | 27 |
| Complexity | 912.0289 |
Chemical Identifiers
| CAS Number | 1005046-59-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N4CCCN4C3C2=O)C5=CC=C(C=C5)F |
Product Overview
A3562/0151107 (CAS 1005046-59-2), with molecular formula C21H20FN3O2 and molecular weight 365.15 g/mol. IUPAC: 7-(4-fluorophenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of A3562/0151107
Property Insights of A3562/0151107
The XLogP value of 2.66972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3562/0151107. With a topological polar surface area (TPSA) of 43.86 Ų, A3562/0151107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3562/0151107 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 A3562/0151107?
The CAS number of A3562/0151107 is 1005046-59-2.
What is the molecular formula of A3562/0151107?
The molecular formula of A3562/0151107 is C21H20FN3O2.
What is the molecular weight of A3562/0151107?
The molecular weight of A3562/0151107 is 365.15 g/mol.
Where can I buy A3562/0151107?
You can request a quote for A3562/0151107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3562/0151107?
Yes, KEHONG BIO provides custom synthesis services for A3562/0151107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.