A3882/0165046
TL;DR: A3882/0165046 (CAS 728037-36-3) is a chemical compound with molecular formula C30H21N5O4 and molecular weight 515.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-2',5-dioxo-1'-prop-2-ynyl-2-pyrrol-1-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
Also Known As: A3882/0165046, 1-(3-nitrophenyl)-2',5-dioxo-1'-prop-2-ynyl-2-pyrrol-1-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile, 1'-(3-nitrophenyl)-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-NITROPHENYL)-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-nitrophenyl)-5,12-dioxo-11-prop-2-ynyl-2-pyrrolylspiro[1,4,6,7,8-pentahyd roquinoline-4,3'-indoline]-3-carbonitrile
| Molecular Formula | C30H21N5O4 |
|---|---|
| Molecular Weight | 515.16 g/mol |
| LogP | 4.53358 |
| Topological Polar Surface Area | 112.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.15936 |
| Heavy Atoms | 39 |
| Complexity | 1719.9612 |
Chemical Identifiers
| CAS Number | 728037-36-3 |
|---|---|
| SMILES | C#CCN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=CC(=CC=C5)[N+](=O)[O-])N6C=CC=C6)C#N |
Product Overview
A3882/0165046 (CAS 728037-36-3), with molecular formula C30H21N5O4 and molecular weight 515.16 g/mol. IUPAC: 1-(3-nitrophenyl)-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 A3882/0165046
Property Insights of A3882/0165046
The XLogP value of 4.53358 indicates that A3882/0165046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A3882/0165046. Following Lipinski's Rule of Five, A3882/0165046 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 A3882/0165046?
The CAS number of A3882/0165046 is 728037-36-3.
What is the molecular formula of A3882/0165046?
The molecular formula of A3882/0165046 is C30H21N5O4.
What is the molecular weight of A3882/0165046?
The molecular weight of A3882/0165046 is 515.16 g/mol.
Where can I buy A3882/0165046?
You can request a quote for A3882/0165046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3882/0165046?
Yes, KEHONG BIO provides custom synthesis services for A3882/0165046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.