F0580-0740
TL;DR: F0580-0740 (CAS 536712-16-0) is a chemical compound with molecular formula C25H15ClF4N4O2S and molecular weight 546.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-0740, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl][2-(p-fluorophenyl)-1-oxo-2,4,9-triaza-2,9-dihydro-1H-fluoren-3-ylthio]acetamide
| Molecular Formula | C25H15ClF4N4O2S |
|---|---|
| Molecular Weight | 546.05 g/mol |
| LogP | 6.4091 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.054 |
| Heavy Atoms | 37 |
| Complexity | 1715.011 |
Chemical Identifiers
| CAS Number | 536712-16-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C5=CC=C(C=C5)F |
Product Overview
F0580-0740 (CAS 536712-16-0), with molecular formula C25H15ClF4N4O2S and molecular weight 546.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-0740
Property Insights of F0580-0740
The XLogP value of 6.4091 indicates that F0580-0740 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 F0580-0740. Following Lipinski's Rule of Five, F0580-0740 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 F0580-0740?
The CAS number of F0580-0740 is 536712-16-0.
What is the molecular formula of F0580-0740?
The molecular formula of F0580-0740 is C25H15ClF4N4O2S.
What is the molecular weight of F0580-0740?
The molecular weight of F0580-0740 is 546.05 g/mol.
Where can I buy F0580-0740?
You can request a quote for F0580-0740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0740?
Yes, KEHONG BIO provides custom synthesis services for F0580-0740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.