Quinolin derivative
TL;DR: Quinolin derivative (CAS 353271-48-4) is a chemical compound with molecular formula C29H22ClN3O3 and molecular weight 495.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: Quinolin derivative, ChemDiv1_019657, 1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 1-(4-CHLOROBENZOYL)-2-(3,4-DIMETHOXYPHENYL)-1H,2H,3H,3AH-PYRROLO[1,2-A]QUINOLINE-3,3-DICARBONITRILE, 1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C29H22ClN3O3 |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 5.64146 |
| Topological Polar Surface Area | 86.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.13498 |
| Heavy Atoms | 36 |
| Complexity | 1437.8215 |
Chemical Identifiers
| CAS Number | 353271-48-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl)OC |
Product Overview
Quinolin derivative (CAS 353271-48-4), with molecular formula C29H22ClN3O3 and molecular weight 495.13 g/mol. IUPAC: 1-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of Quinolin derivative
Property Insights of Quinolin derivative
The XLogP value of 5.64146 indicates that Quinolin derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolin derivative. Following Lipinski's Rule of Five, Quinolin derivative has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinolin derivative?
The CAS number of Quinolin derivative is 353271-48-4.
What is the molecular formula of Quinolin derivative?
The molecular formula of Quinolin derivative is C29H22ClN3O3.
What is the molecular weight of Quinolin derivative?
The molecular weight of Quinolin derivative is 495.13 g/mol.
Where can I buy Quinolin derivative?
You can request a quote for Quinolin derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin derivative?
Yes, KEHONG BIO provides custom synthesis services for Quinolin derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.