A1285/0058623
TL;DR: A1285/0058623 (CAS 294635-01-1) is a chemical compound with molecular formula C26H22F3N3O and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: A1285/0058623, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-10,3a-dihy dropyrrolidino[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-1-pivaloyl-2-(4-(trifluoromethyl)phenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C26H22F3N3O |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 5.72196 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.1715 |
| Heavy Atoms | 33 |
| Complexity | 1195.5591 |
Chemical Identifiers
| CAS Number | 294635-01-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
A1285/0058623 (CAS 294635-01-1), with molecular formula C26H22F3N3O and molecular weight 449.17 g/mol. IUPAC: (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of A1285/0058623
Property Insights of A1285/0058623
The XLogP value of 5.72196 indicates that A1285/0058623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A1285/0058623. Following Lipinski's Rule of Five, A1285/0058623 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1285/0058623?
The CAS number of A1285/0058623 is 294635-01-1.
What is the molecular formula of A1285/0058623?
The molecular formula of A1285/0058623 is C26H22F3N3O.
What is the molecular weight of A1285/0058623?
The molecular weight of A1285/0058623 is 449.17 g/mol.
Where can I buy A1285/0058623?
You can request a quote for A1285/0058623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1285/0058623?
Yes, KEHONG BIO provides custom synthesis services for A1285/0058623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.