![2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide structure](/static/products/5367/536711-35-0.webp)
2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
TL;DR: 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide (CAS 536711-35-0) is a chemical compound with molecular formula C24H16FN5O4S and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide, F0580-0702, 2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C24H16FN5O4S |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 4.6451 |
| Topological Polar Surface Area | 122.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.0907 |
| Heavy Atoms | 35 |
| Complexity | 1645.7374 |
Chemical Identifiers
| CAS Number | 536711-35-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)F |
Product Overview
2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide (CAS 536711-35-0), with molecular formula C24H16FN5O4S and molecular weight 489.09 g/mol. IUPAC: 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Property Insights of 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
The XLogP value of 4.6451 indicates that 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide has 2 hydrogen bond donor(s) and 6 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-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
The CAS number of 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is 536711-35-0.
What is the molecular formula of 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is C24H16FN5O4S.
What is the molecular weight of 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide is 489.09 g/mol.
Where can I buy 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)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-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.