![2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5376/537668-70-5.webp)
2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 537668-70-5) is a chemical compound with molecular formula C26H20N4O2S and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: G856-0820, F0580-0105, 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C26H20N4O2S |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.5484 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.1307 |
| Heavy Atoms | 33 |
| Complexity | 1572.4011 |
Chemical Identifiers
| CAS Number | 537668-70-5 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC6=CC=CC=C64 |
Product Overview
2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 537668-70-5), with molecular formula C26H20N4O2S and molecular weight 452.13 g/mol. IUPAC: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.5484 indicates that 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 537668-70-5.
What is the molecular formula of 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C26H20N4O2S.
What is the molecular weight of 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 452.13 g/mol.
Where can I buy 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-phenyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.