NCI60_025048
TL;DR: NCI60_025048 (CAS 4946-95-6) is a chemical compound with molecular formula C15H9Br2N3O3 and molecular weight 436.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',6'-dibromo-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: NCI60_025048, 2',6'-dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione, 3,5-Dibromo-6',7'-dihydrospiro[cyclohexa-2,5-diene-1,8'-imidazo[4,5-g]quinoline]-4,4',9'(1'H,5'H)-trione
| Molecular Formula | C15H9Br2N3O3 |
|---|---|
| Molecular Weight | 436.90 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 436.90106 |
| Heavy Atoms | 23 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 4946-95-6 |
|---|---|
| SMILES | C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=C(C(=O)C(=C4)Br)Br |
| InChIKey | IATLONPIMRSRSI-UHFFFAOYSA-N |
Product Overview
NCI60_025048 (CAS 4946-95-6), with molecular formula C15H9Br2N3O3 and molecular weight 436.90 g/mol. IUPAC: 2',6'-dibromo-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of NCI60_025048
Property Insights of NCI60_025048
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_025048. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_025048. Following Lipinski's Rule of Five, NCI60_025048 has 2 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 NCI60_025048?
The CAS number of NCI60_025048 is 4946-95-6.
What is the molecular formula of NCI60_025048?
The molecular formula of NCI60_025048 is C15H9Br2N3O3.
What is the molecular weight of NCI60_025048?
The molecular weight of NCI60_025048 is 436.90 g/mol.
Where can I buy NCI60_025048?
You can request a quote for NCI60_025048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025048?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.