F0580-1055
TL;DR: F0580-1055 (CAS 536716-82-2) is a chemical compound with molecular formula C25H19N5O4S and molecular weight 485.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-1055, N-(4-methylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, 2-((3-(4-nitrophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(p-tolyl)acetamide, N-(4-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C25H19N5O4S |
|---|---|
| Molecular Weight | 485.12 g/mol |
| LogP | 4.81442 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.11578 |
| Heavy Atoms | 35 |
| Complexity | 1639.68 |
Chemical Identifiers
| CAS Number | 536716-82-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53 |
Product Overview
F0580-1055 (CAS 536716-82-2), with molecular formula C25H19N5O4S and molecular weight 485.12 g/mol. IUPAC: N-(4-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-1055
Property Insights of F0580-1055
The XLogP value of 4.81442 indicates that F0580-1055 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 F0580-1055. Following Lipinski's Rule of Five, F0580-1055 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 F0580-1055?
The CAS number of F0580-1055 is 536716-82-2.
What is the molecular formula of F0580-1055?
The molecular formula of F0580-1055 is C25H19N5O4S.
What is the molecular weight of F0580-1055?
The molecular weight of F0580-1055 is 485.12 g/mol.
Where can I buy F0580-1055?
You can request a quote for F0580-1055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-1055?
Yes, KEHONG BIO provides custom synthesis services for F0580-1055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.