F0580-0082
TL;DR: F0580-0082 (CAS 537668-47-6) is a chemical compound with molecular formula C20H14ClF3N4O2S and molecular weight 466.05 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-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0082, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C20H14ClF3N4O2S |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 4.8178 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.04782 |
| Heavy Atoms | 31 |
| Complexity | 1380.8562 |
Chemical Identifiers
| CAS Number | 537668-47-6 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
F0580-0082 (CAS 537668-47-6), with molecular formula C20H14ClF3N4O2S and molecular weight 466.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0082
Property Insights of F0580-0082
The XLogP value of 4.8178 indicates that F0580-0082 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 F0580-0082. Following Lipinski's Rule of Five, F0580-0082 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 F0580-0082?
The CAS number of F0580-0082 is 537668-47-6.
What is the molecular formula of F0580-0082?
The molecular formula of F0580-0082 is C20H14ClF3N4O2S.
What is the molecular weight of F0580-0082?
The molecular weight of F0580-0082 is 466.05 g/mol.
Where can I buy F0580-0082?
You can request a quote for F0580-0082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0082?
Yes, KEHONG BIO provides custom synthesis services for F0580-0082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.