F0580-0112
TL;DR: F0580-0112 (CAS 537668-79-4) is a chemical compound with molecular formula C25H20N4O3S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0112, N-(4-methoxyphenyl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(4-methoxyphenyl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(4-methoxyphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C25H20N4O3S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 4.6064 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.1256 |
| Heavy Atoms | 33 |
| Complexity | 1508.5687 |
Chemical Identifiers
| CAS Number | 537668-79-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
F0580-0112 (CAS 537668-79-4), with molecular formula C25H20N4O3S and molecular weight 456.13 g/mol. IUPAC: N-(4-methoxyphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0112
Property Insights of F0580-0112
The XLogP value of 4.6064 indicates that F0580-0112 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 F0580-0112. Following Lipinski's Rule of Five, F0580-0112 has 2 hydrogen bond donor(s) and 5 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 F0580-0112?
The CAS number of F0580-0112 is 537668-79-4.
What is the molecular formula of F0580-0112?
The molecular formula of F0580-0112 is C25H20N4O3S.
What is the molecular weight of F0580-0112?
The molecular weight of F0580-0112 is 456.13 g/mol.
Where can I buy F0580-0112?
You can request a quote for F0580-0112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0112?
Yes, KEHONG BIO provides custom synthesis services for F0580-0112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.