A3560/0151020
TL;DR: A3560/0151020 (CAS 956960-33-1) is a chemical compound with molecular formula C20H14F3N3O4 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: A3560/0151020, benzyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, benzyl 4,6-dioxo-5-(3-(trifluoromethyl)phenyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, benzyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C20H14F3N3O4 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 2.266 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.09363 |
| Heavy Atoms | 30 |
| Complexity | 1052.7622 |
Chemical Identifiers
| CAS Number | 956960-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=NNC3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
A3560/0151020 (CAS 956960-33-1), with molecular formula C20H14F3N3O4 and molecular weight 417.09 g/mol. IUPAC: benzyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of A3560/0151020
Property Insights of A3560/0151020
The XLogP value of 2.266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3560/0151020. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A3560/0151020. Following Lipinski's Rule of Five, A3560/0151020 has 1 hydrogen bond donor(s) and 6 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 A3560/0151020?
The CAS number of A3560/0151020 is 956960-33-1.
What is the molecular formula of A3560/0151020?
The molecular formula of A3560/0151020 is C20H14F3N3O4.
What is the molecular weight of A3560/0151020?
The molecular weight of A3560/0151020 is 417.09 g/mol.
Where can I buy A3560/0151020?
You can request a quote for A3560/0151020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3560/0151020?
Yes, KEHONG BIO provides custom synthesis services for A3560/0151020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.