![3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536705-86-9.webp)
3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 536705-86-9) is a chemical compound with molecular formula C19H17N3OS and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3,5-dimethylphenyl)-2-(methylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0339, 3-(3,5-dimethylphenyl)-2-(methylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H17N3OS |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 4.20574 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.10922 |
| Heavy Atoms | 24 |
| Complexity | 1120.4728 |
Chemical Identifiers
| CAS Number | 536705-86-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC)C |
Product Overview
3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 536705-86-9), with molecular formula C19H17N3OS and molecular weight 335.11 g/mol. IUPAC: 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.20574 indicates that 3-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 536705-86-9.
What is the molecular formula of 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is C19H17N3OS.
What is the molecular weight of 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one is 335.11 g/mol.
Where can I buy 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethylphenyl)-2-methylsulfanyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.