![2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide structure](/static/products/5376/537668-17-0.webp)
2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 537668-17-0) is a chemical compound with molecular formula C20H15F3N4O2S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, F0580-0052, 2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H15F3N4O2S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 4.1644 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.0868 |
| Heavy Atoms | 30 |
| Complexity | 1327.3688 |
Chemical Identifiers
| CAS Number | 537668-17-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 537668-17-0), with molecular formula C20H15F3N4O2S and molecular weight 432.09 g/mol. IUPAC: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 4.1644 indicates that 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide 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 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide 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 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is 537668-17-0.
What is the molecular formula of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is C20H15F3N4O2S.
What is the molecular weight of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is 432.09 g/mol.
Where can I buy 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.