![3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536705-87-0.webp)
3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536705-87-0) is a chemical compound with molecular formula C20H19N3OS and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylphenyl)-2-ethylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3,5-dimethylphenyl)-2-(ethylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one, F0580-0340, 3-(3,5-dimethylphenyl)-2-ethylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H19N3OS |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 4.59584 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.12488 |
| Heavy Atoms | 25 |
| Complexity | 1136.7385 |
Chemical Identifiers
| CAS Number | 536705-87-0 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=O)N1C3=CC(=CC(=C3)C)C)NC4=CC=CC=C42 |
Product Overview
3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536705-87-0), with molecular formula C20H19N3OS and molecular weight 349.12 g/mol. IUPAC: 3-(3,5-dimethylphenyl)-2-ethylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.59584 indicates that 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-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-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-dimethylphenyl)-2-(ethylthio)-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 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536705-87-0.
What is the molecular formula of 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H19N3OS.
What is the molecular weight of 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 349.12 g/mol.
Where can I buy 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3,5-dimethylphenyl)-2-(ethylthio)-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-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethylphenyl)-2-(ethylthio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.