ChemDiv1_024822
TL;DR: ChemDiv1_024822 (CAS 293293-82-0) is a chemical compound with molecular formula C22H16FN3O and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_024822, (1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 1-acetyl-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, A0038/0001576, (1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C22H16FN3O |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 3.81606 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.12775 |
| Heavy Atoms | 27 |
| Complexity | 1032.0088 |
Chemical Identifiers
| CAS Number | 293293-82-0 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4F |
Product Overview
ChemDiv1_024822 (CAS 293293-82-0), with molecular formula C22H16FN3O and molecular weight 357.13 g/mol. IUPAC: (1S,2R,3aR)-1-acetyl-2-(2-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_024822
Property Insights of ChemDiv1_024822
The XLogP value of 3.81606 indicates that ChemDiv1_024822 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 ChemDiv1_024822. Following Lipinski's Rule of Five, ChemDiv1_024822 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 ChemDiv1_024822?
The CAS number of ChemDiv1_024822 is 293293-82-0.
What is the molecular formula of ChemDiv1_024822?
The molecular formula of ChemDiv1_024822 is C22H16FN3O.
What is the molecular weight of ChemDiv1_024822?
The molecular weight of ChemDiv1_024822 is 357.13 g/mol.
Where can I buy ChemDiv1_024822?
You can request a quote for ChemDiv1_024822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024822?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.