F0580-0681
TL;DR: F0580-0681 (CAS 536710-98-2) is a chemical compound with molecular formula C26H21FN4O3S and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-0681, N-(4-ethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(4-ethoxyphenyl)-2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C26H21FN4O3S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 5.1356 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.13184 |
| Heavy Atoms | 35 |
| Complexity | 1577.3975 |
Chemical Identifiers
| CAS Number | 536710-98-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
F0580-0681 (CAS 536710-98-2), with molecular formula C26H21FN4O3S and molecular weight 488.13 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-0681
Property Insights of F0580-0681
The XLogP value of 5.1356 indicates that F0580-0681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.01 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0681. Following Lipinski's Rule of Five, F0580-0681 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-0681?
The CAS number of F0580-0681 is 536710-98-2.
What is the molecular formula of F0580-0681?
The molecular formula of F0580-0681 is C26H21FN4O3S.
What is the molecular weight of F0580-0681?
The molecular weight of F0580-0681 is 488.13 g/mol.
Where can I buy F0580-0681?
You can request a quote for F0580-0681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0681?
Yes, KEHONG BIO provides custom synthesis services for F0580-0681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.