ChemDiv1_027314
TL;DR: ChemDiv1_027314 (CAS 293313-04-9) is a chemical compound with molecular formula C24H22N4O and molecular weight 382.18 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-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_027314, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 1-(2,2-dimethylpropanoyl)-2-(3-pyridinyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, A1285/0058617, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(3-pyridyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C24H22N4O |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 4.09816 |
| Topological Polar Surface Area | 80.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.17935 |
| Heavy Atoms | 29 |
| Complexity | 1054.54 |
Chemical Identifiers
| CAS Number | 293313-04-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CN=CC=C4 |
Product Overview
ChemDiv1_027314 (CAS 293313-04-9), with molecular formula C24H22N4O and molecular weight 382.18 g/mol. IUPAC: (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_027314
Property Insights of ChemDiv1_027314
The XLogP value of 4.09816 indicates that ChemDiv1_027314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027314. Following Lipinski's Rule of Five, ChemDiv1_027314 has 0 hydrogen bond donor(s) and 5 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_027314?
The CAS number of ChemDiv1_027314 is 293313-04-9.
What is the molecular formula of ChemDiv1_027314?
The molecular formula of ChemDiv1_027314 is C24H22N4O.
What is the molecular weight of ChemDiv1_027314?
The molecular weight of ChemDiv1_027314 is 382.18 g/mol.
Where can I buy ChemDiv1_027314?
You can request a quote for ChemDiv1_027314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027314?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.