ChemDiv1_019920
TL;DR: ChemDiv1_019920 (CAS 358731-73-4) is a chemical compound with molecular formula C27H18ClN3O and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-2-(4-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: ChemDiv1_019920, BAS 00779762, 1-benzoyl-2-(4-chlorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-benzoyl-2-(4-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 1-BENZOYL-2-(4-CHLOROPHENYL)-1H,2H,3H,3AH-PYRROLO[1,2-A]QUINOLINE-3,3-DICARBONITRILE
| Molecular Formula | C27H18ClN3O |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 5.62426 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.11383 |
| Heavy Atoms | 32 |
| Complexity | 1287.2233 |
Chemical Identifiers
| CAS Number | 358731-73-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_019920 (CAS 358731-73-4), with molecular formula C27H18ClN3O and molecular weight 435.11 g/mol. IUPAC: 1-benzoyl-2-(4-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of ChemDiv1_019920
Property Insights of ChemDiv1_019920
The XLogP value of 5.62426 indicates that ChemDiv1_019920 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_019920. Following Lipinski's Rule of Five, ChemDiv1_019920 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_019920?
The CAS number of ChemDiv1_019920 is 358731-73-4.
What is the molecular formula of ChemDiv1_019920?
The molecular formula of ChemDiv1_019920 is C27H18ClN3O.
What is the molecular weight of ChemDiv1_019920?
The molecular weight of ChemDiv1_019920 is 435.11 g/mol.
Where can I buy ChemDiv1_019920?
You can request a quote for ChemDiv1_019920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019920?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.