ChemDiv1_024748
TL;DR: ChemDiv1_024748 (CAS 294203-45-5) is a chemical compound with molecular formula C28H21N3O2 and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3aR)-1-benzoyl-2-(2-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_024748, A0239/0010753, (1S,2R,3aR)-1-benzoyl-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2R,3aR)-1-benzoyl-2-(2-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2R,3aR)-2-(2-methoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C28H21N3O2 |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 4.97946 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1634 |
| Heavy Atoms | 33 |
| Complexity | 1318.9937 |
Chemical Identifiers
| CAS Number | 294203-45-5 |
|---|---|
| SMILES | COC1=CC=CC=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_024748 (CAS 294203-45-5), with molecular formula C28H21N3O2 and molecular weight 431.16 g/mol. IUPAC: (1S,2R,3aR)-1-benzoyl-2-(2-methoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_024748
Property Insights of ChemDiv1_024748
The XLogP value of 4.97946 indicates that ChemDiv1_024748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024748. Following Lipinski's Rule of Five, ChemDiv1_024748 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_024748?
The CAS number of ChemDiv1_024748 is 294203-45-5.
What is the molecular formula of ChemDiv1_024748?
The molecular formula of ChemDiv1_024748 is C28H21N3O2.
What is the molecular weight of ChemDiv1_024748?
The molecular weight of ChemDiv1_024748 is 431.16 g/mol.
Where can I buy ChemDiv1_024748?
You can request a quote for ChemDiv1_024748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024748?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.