![3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536704-35-5.webp)
3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536704-35-5) is a chemical compound with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0189, 2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C23H22N4O2S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 3.88992 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.14636 |
| Heavy Atoms | 30 |
| Complexity | 1300.7802 |
Chemical Identifiers
| CAS Number | 536704-35-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCC5 |
Product Overview
3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536704-35-5), with molecular formula C23H22N4O2S and molecular weight 418.15 g/mol. IUPAC: 3-(4-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.88992 indicates that 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-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-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-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 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 536704-35-5.
What is the molecular formula of 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C23H22N4O2S.
What is the molecular weight of 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 418.15 g/mol.
Where can I buy 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.