ChemDiv1_024800
TL;DR: ChemDiv1_024800 (CAS 294845-22-0) is a chemical compound with molecular formula C28H21N3O and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-benzoyl-2-(4-methylphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_024800, A0717/0033477, (1S,2S,3aR)-1-benzoyl-2-(4-methylphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-1-benzoyl-2-(p-tolyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-2-(4-methylphenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C28H21N3O |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 5.27928 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.16846 |
| Heavy Atoms | 32 |
| Complexity | 1280.9993 |
Chemical Identifiers
| CAS Number | 294845-22-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_024800 (CAS 294845-22-0), with molecular formula C28H21N3O and molecular weight 415.17 g/mol. IUPAC: (1S,2S,3aR)-1-benzoyl-2-(4-methylphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_024800
Property Insights of ChemDiv1_024800
The XLogP value of 5.27928 indicates that ChemDiv1_024800 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_024800. Following Lipinski's Rule of Five, ChemDiv1_024800 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 ChemDiv1_024800?
The CAS number of ChemDiv1_024800 is 294845-22-0.
What is the molecular formula of ChemDiv1_024800?
The molecular formula of ChemDiv1_024800 is C28H21N3O.
What is the molecular weight of ChemDiv1_024800?
The molecular weight of ChemDiv1_024800 is 415.17 g/mol.
Where can I buy ChemDiv1_024800?
You can request a quote for ChemDiv1_024800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024800?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.