![(3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one structure](/static/products/956/956964-50-4.png)
(3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one
TL;DR: (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one (CAS 956964-50-4) is a chemical compound with molecular formula C21H19F3N2O3 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one
Also Known As: (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one, 2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one, 5-(2-hydroxyphenyl)-3a-methyl-6-[3-(trifluoromethyl)benzoyl]-tetrahydro-1H-pyrrolo[2,3-b]pyrrol-2-one
| Molecular Formula | C21H19F3N2O3 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.8505 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.13477 |
| Heavy Atoms | 29 |
| Complexity | 991.1318 |
Chemical Identifiers
| CAS Number | 956964-50-4 |
|---|---|
| SMILES | CC12CC(N(C1NC(=O)C2)C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4O |
Product Overview
(3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one (CAS 956964-50-4), with molecular formula C21H19F3N2O3 and molecular weight 404.13 g/mol. IUPAC: 2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one.
Chemical Property Profile of (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one
Property Insights of (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one
The XLogP value of 3.8505 indicates that (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one. Following Lipinski's Rule of Five, (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one has 2 hydrogen bond donor(s) and 3 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 (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one?
The CAS number of (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one is 956964-50-4.
What is the molecular formula of (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one?
The molecular formula of (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one is C21H19F3N2O3.
What is the molecular weight of (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one?
The molecular weight of (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one is 404.13 g/mol.
Where can I buy (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one?
You can request a quote for (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one?
Yes, KEHONG BIO provides custom synthesis services for (3Ar)-2-(2-hydroxyphenyl)-3a-methyl-1-[3-(trifluoromethyl)benzoyl]-3,4,6,6a-tetrahydro-2H-pyrrolo[2,3-b]pyrrol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.