![2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide structure](/static/products/5367/536704-50-4.webp)
2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
TL;DR: 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide (CAS 536704-50-4) is a chemical compound with molecular formula C25H20N4O2S and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide, F0580-0204, 2-((4-oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-phenylacetamide, 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide
| Molecular Formula | C25H20N4O2S |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 4.90622 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1307 |
| Heavy Atoms | 32 |
| Complexity | 1488.2604 |
Chemical Identifiers
| CAS Number | 536704-50-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC=C5 |
Product Overview
2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide (CAS 536704-50-4), with molecular formula C25H20N4O2S and molecular weight 440.13 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
Property Insights of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide
The XLogP value of 4.90622 indicates that 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide 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-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide. Following Lipinski's Rule of Five, 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide 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-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide?
The CAS number of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide is 536704-50-4.
What is the molecular formula of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide?
The molecular formula of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide is C25H20N4O2S.
What is the molecular weight of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide?
The molecular weight of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide is 440.13 g/mol.
Where can I buy 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide?
You can request a quote for 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide 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-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.