F0580-1045
TL;DR: F0580-1045 (CAS 536716-72-0) is a chemical compound with molecular formula C26H19N5O4S and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-1045, 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one, 3-[2-(1-indolinyl)-2-oxoethylthio]-2-(p-nitrophenyl)-2,4,9-triaza-2,9-dihydro-1H-fluoren-1-one
| Molecular Formula | C26H19N5O4S |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 4.4566 |
| Topological Polar Surface Area | 114.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.11578 |
| Heavy Atoms | 36 |
| Complexity | 1724.801 |
Chemical Identifiers
| CAS Number | 536716-72-0 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64 |
Product Overview
F0580-1045 (CAS 536716-72-0), with molecular formula C26H19N5O4S and molecular weight 497.12 g/mol. IUPAC: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-1045
Property Insights of F0580-1045
The XLogP value of 4.4566 indicates that F0580-1045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.13 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-1045. Following Lipinski's Rule of Five, F0580-1045 has 1 hydrogen bond donor(s) and 6 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 F0580-1045?
The CAS number of F0580-1045 is 536716-72-0.
What is the molecular formula of F0580-1045?
The molecular formula of F0580-1045 is C26H19N5O4S.
What is the molecular weight of F0580-1045?
The molecular weight of F0580-1045 is 497.12 g/mol.
Where can I buy F0580-1045?
You can request a quote for F0580-1045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-1045?
Yes, KEHONG BIO provides custom synthesis services for F0580-1045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.