![3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/888/888435-88-9.png)
3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 888435-88-9) 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-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-(methylthio)-3-(o-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(2-methylphenyl)-2-(methylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F1882-0008, 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one, 2-(methylthio)-3-(o-tolyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H15N3OS |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 3.89732 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.0936 |
| Heavy Atoms | 23 |
| Complexity | 1094.5135 |
Chemical Identifiers
| CAS Number | 888435-88-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC |
Product Overview
3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 888435-88-9), with molecular formula C18H15N3OS and molecular weight 321.09 g/mol. IUPAC: 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.89732 indicates that 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-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 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 888435-88-9.
What is the molecular formula of 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is C18H15N3OS.
What is the molecular weight of 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 321.09 g/mol.
Where can I buy 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(2-methylphenyl)-2-methylsulfanyl-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-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.