![2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide structure](/static/products/888/888461-70-9.png)
2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
TL;DR: 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide (CAS 888461-70-9) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide, 2-((3-ethyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-phenethylacetamide, 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide, 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethylacetamide
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.3487 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1214.1732 |
Chemical Identifiers
| CAS Number | 888461-70-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCCC4=CC=CC=C4 |
Product Overview
2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide (CAS 888461-70-9), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Property Insights of 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
The XLogP value of 3.3487 indicates that 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)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-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide. Following Lipinski's Rule of Five, 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)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-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The CAS number of 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide is 888461-70-9.
What is the molecular formula of 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The molecular formula of 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide is C22H22N4O2S.
What is the molecular weight of 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
The molecular weight of 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide is 406.15 g/mol.
Where can I buy 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
You can request a quote for 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)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-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.