F0580-1053
TL;DR: F0580-1053 (CAS 536716-80-0) is a chemical compound with molecular formula C24H16FN5O4S and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-1053, N-(4-fluorophenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(4-fluorophenyl)-2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C24H16FN5O4S |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 4.6451 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.0907 |
| Heavy Atoms | 35 |
| Complexity | 1645.7374 |
Chemical Identifiers
| CAS Number | 536716-80-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)F)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
F0580-1053 (CAS 536716-80-0), with molecular formula C24H16FN5O4S and molecular weight 489.09 g/mol. IUPAC: N-(4-fluorophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-1053
Property Insights of F0580-1053
The XLogP value of 4.6451 indicates that F0580-1053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-1053. Following Lipinski's Rule of Five, F0580-1053 has 2 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 F0580-1053?
The CAS number of F0580-1053 is 536716-80-0.
What is the molecular formula of F0580-1053?
The molecular formula of F0580-1053 is C24H16FN5O4S.
What is the molecular weight of F0580-1053?
The molecular weight of F0580-1053 is 489.09 g/mol.
Where can I buy F0580-1053?
You can request a quote for F0580-1053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-1053?
Yes, KEHONG BIO provides custom synthesis services for F0580-1053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.