![2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide structure](/static/products/5376/537668-13-6.webp)
2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
TL;DR: 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide (CAS 537668-13-6) is a chemical compound with molecular formula C23H18N4O2S and molecular weight 414.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide, F0580-0048, 2-((3-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
Technical Specifications
| Molecular Formula | C23H18N4O2S |
| Molecular Weight | 414.11505 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.11505 Da |
| Heavy Atoms | 30 |
| Complexity | 713.0 |
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=CC5=CC=CC=C54 |
| InChIKey | OZNZCLDUKYWNAB-UHFFFAOYSA-N |
Chemical Property Profile of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
Property Insights of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
The XLogP value of 4.4 indicates that 2-({3-methyl-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 103.0 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-(naphthalen-1-yl)acetamide. Following Lipinski's Rule of Five, 2-({3-methyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-(naphthalen-1-yl)acetamide?
The CAS number of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide is 537668-13-6.
What is the molecular formula of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide?
The molecular formula of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide is C23H18N4O2S.
What is the molecular weight of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide?
The molecular weight of 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide is 414.11505 g/mol.
Where can I buy 2-({3-methyl-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-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-({3-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-({3-methyl-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.