![3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536712-60-4.webp)
3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536712-60-4) is a chemical compound with molecular formula C26H19ClN4O2S and molecular weight 486.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, G856-1200, F0580-0763, 3-(3-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(3-CHLOROPHENYL)-2-{[2-(2,3-DIHYDRO-1H-INDOL-1-YL)-2-OXOETHYL]SULFANYL}-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE
| Molecular Formula | C26H19ClN4O2S |
|---|---|
| Molecular Weight | 486.09 g/mol |
| LogP | 5.2018 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.09174 |
| Heavy Atoms | 34 |
| Complexity | 1641.5652 |
Chemical Identifiers
| CAS Number | 536712-60-4 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(C(=O)N3C5=CC(=CC=C5)Cl)NC6=CC=CC=C64 |
Product Overview
3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536712-60-4), with molecular formula C26H19ClN4O2S and molecular weight 486.09 g/mol. IUPAC: 3-(3-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 5.2018 indicates that 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-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 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536712-60-4.
What is the molecular formula of 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C26H19ClN4O2S.
What is the molecular weight of 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 486.09 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-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 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.