A3958/0168656
TL;DR: A3958/0168656 (CAS 889971-73-7) is a chemical compound with molecular formula C30H20ClFN4O2 and molecular weight 522.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-2',5-dioxo-1'-prop-2-ynyl-2-pyrrol-1-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
Also Known As: A3958/0168656, 1-(3-chloro-4-fluorophenyl)-2',5-dioxo-1'-prop-2-ynyl-2-pyrrol-1-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile, 1'-(3-chloro-4-fluorophenyl)-2,5'-dioxo-1-(prop-2-yn-1-yl)-2'-(1H-pyrrol-1-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile, 1'-(3-CHLORO-4-FLUOROPHENYL)-2,5'-DIOXO-1-PROP-2-YN-1-YL-2'-(1H-PYRROL-1-YL)-1,2,5',6',7',8'-HEXAHYDRO-1'H-SPIRO[INDOLE-3,4'-QUINOLINE]-3'-CARBONITRILE, 1-(3-chloro-4-fluorophenyl)-5,12-dioxo-11-prop-2-ynyl-2-pyrrolylspiro[1,4,6,7, 8-pentahydroquinoline-4,3'-indoline]-3-carbonitrile
| Molecular Formula | C30H20ClFN4O2 |
|---|---|
| Molecular Weight | 522.13 g/mol |
| LogP | 5.41788 |
| Topological Polar Surface Area | 69.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 522.12585 |
| Heavy Atoms | 38 |
| Complexity | 1674.5782 |
Chemical Identifiers
| CAS Number | 889971-73-7 |
|---|---|
| SMILES | C#CCN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=CC(=C(C=C5)F)Cl)N6C=CC=C6)C#N |
Product Overview
A3958/0168656 (CAS 889971-73-7), with molecular formula C30H20ClFN4O2 and molecular weight 522.13 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-2',5-dioxo-1'-prop-2-ynyl-2-pyrrol-1-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile.
Chemical Property Profile of A3958/0168656
Property Insights of A3958/0168656
The XLogP value of 5.41788 indicates that A3958/0168656 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A3958/0168656. Following Lipinski's Rule of Five, A3958/0168656 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 A3958/0168656?
The CAS number of A3958/0168656 is 889971-73-7.
What is the molecular formula of A3958/0168656?
The molecular formula of A3958/0168656 is C30H20ClFN4O2.
What is the molecular weight of A3958/0168656?
The molecular weight of A3958/0168656 is 522.13 g/mol.
Where can I buy A3958/0168656?
You can request a quote for A3958/0168656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3958/0168656?
Yes, KEHONG BIO provides custom synthesis services for A3958/0168656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.