F0580-0743
TL;DR: F0580-0743 (CAS 536712-22-8) is a chemical compound with molecular formula C24H16ClFN4O2S and molecular weight 478.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-0743, N-(3-chlorophenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C24H16ClFN4O2S |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | 5.3903 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.06665 |
| Heavy Atoms | 33 |
| Complexity | 1563.1466 |
Chemical Identifiers
| CAS Number | 536712-22-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F |
Product Overview
F0580-0743 (CAS 536712-22-8), with molecular formula C24H16ClFN4O2S and molecular weight 478.07 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-0743
Property Insights of F0580-0743
The XLogP value of 5.3903 indicates that F0580-0743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0743. Following Lipinski's Rule of Five, F0580-0743 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-0743?
The CAS number of F0580-0743 is 536712-22-8.
What is the molecular formula of F0580-0743?
The molecular formula of F0580-0743 is C24H16ClFN4O2S.
What is the molecular weight of F0580-0743?
The molecular weight of F0580-0743 is 478.07 g/mol.
Where can I buy F0580-0743?
You can request a quote for F0580-0743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0743?
Yes, KEHONG BIO provides custom synthesis services for F0580-0743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.