F0580-0834
TL;DR: F0580-0834 (CAS 536714-02-0) is a chemical compound with molecular formula C25H15Cl2F3N4O2S and molecular weight 562.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: F0580-0834, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C25H15Cl2F3N4O2S |
|---|---|
| Molecular Weight | 562.02 g/mol |
| LogP | 6.9234 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 562.0245 |
| Heavy Atoms | 37 |
| Complexity | 1733.5061 |
Chemical Identifiers
| CAS Number | 536714-02-0 |
|---|---|
| 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(=CC=C5)Cl |
Product Overview
F0580-0834 (CAS 536714-02-0), with molecular formula C25H15Cl2F3N4O2S and molecular weight 562.02 g/mol. IUPAC: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of F0580-0834
Property Insights of F0580-0834
The XLogP value of 6.9234 indicates that F0580-0834 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 F0580-0834. Following Lipinski's Rule of Five, F0580-0834 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 F0580-0834?
The CAS number of F0580-0834 is 536714-02-0.
What is the molecular formula of F0580-0834?
The molecular formula of F0580-0834 is C25H15Cl2F3N4O2S.
What is the molecular weight of F0580-0834?
The molecular weight of F0580-0834 is 562.02 g/mol.
Where can I buy F0580-0834?
You can request a quote for F0580-0834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0834?
Yes, KEHONG BIO provides custom synthesis services for F0580-0834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.