![2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide structure](/static/products/5367/536704-83-3.webp)
2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
TL;DR: 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide (CAS 536704-83-3) is a chemical compound with molecular formula C29H22N4O2S and molecular weight 490.15 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-naphthalen-1-ylacetamide
Also Known As: 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide, F0580-0236, N-(naphthalen-1-yl)-2-((4-oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
| Molecular Formula | C29H22N4O2S |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 6.05942 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.14636 |
| Heavy Atoms | 36 |
| Complexity | 1814.5072 |
Chemical Identifiers
| CAS Number | 536704-83-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC6=CC=CC=C65 |
Product Overview
2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide (CAS 536704-83-3), with molecular formula C29H22N4O2S and molecular weight 490.15 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Property Insights of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
The XLogP value of 6.05942 indicates that 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)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-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide. Following Lipinski's Rule of Five, 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-(naphthalen-1-yl)acetamide?
The CAS number of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide is 536704-83-3.
What is the molecular formula of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
The molecular formula of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide is C29H22N4O2S.
What is the molecular weight of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
The molecular weight of 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide is 490.15 g/mol.
Where can I buy 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
You can request a quote for 2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)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-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
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-(naphthalen-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.