F0580-0126
TL;DR: F0580-0126 (CAS 536703-71-6) is a chemical compound with molecular formula C24H16F2N4O2S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0126, N-(2,4-difluorophenyl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(2,4-difluorophenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide, N-(2,4-difluorophenyl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
| Molecular Formula | C24H16F2N4O2S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 4.876 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.0962 |
| Heavy Atoms | 33 |
| Complexity | 1564.1466 |
Chemical Identifiers
| CAS Number | 536703-71-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=C(C=C(C=C5)F)F |
Product Overview
F0580-0126 (CAS 536703-71-6), with molecular formula C24H16F2N4O2S and molecular weight 462.10 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0126
Property Insights of F0580-0126
The XLogP value of 4.876 indicates that F0580-0126 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 F0580-0126. Following Lipinski's Rule of Five, F0580-0126 has 2 hydrogen bond donor(s) and 4 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 F0580-0126?
The CAS number of F0580-0126 is 536703-71-6.
What is the molecular formula of F0580-0126?
The molecular formula of F0580-0126 is C24H16F2N4O2S.
What is the molecular weight of F0580-0126?
The molecular weight of F0580-0126 is 462.10 g/mol.
Where can I buy F0580-0126?
You can request a quote for F0580-0126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0126?
Yes, KEHONG BIO provides custom synthesis services for F0580-0126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.