![2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536704-92-4.webp)
2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536704-92-4) is a chemical compound with molecular formula C18H15N3OS and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, G856-0908, 3-(4-methylphenyl)-2-(methylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0245, 3-(4-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H15N3OS |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.0936 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 536704-92-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC |
| InChIKey | GFSDVLJBDFJXPP-UHFFFAOYSA-N |
Product Overview
2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536704-92-4), with molecular formula C18H15N3OS and molecular weight 321.09 g/mol. IUPAC: 3-(4-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.2 indicates that 2-(methylthio)-3-(p-tolyl)-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 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 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-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536704-92-4.
What is the molecular formula of 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H15N3OS.
What is the molecular weight of 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 321.09 g/mol.
Where can I buy 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-(methylthio)-3-(p-tolyl)-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-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylthio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.