![3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536706-10-2.webp)
3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536706-10-2) is a chemical compound with molecular formula C26H21N3O2S and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3,5-dimethylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(3,5-dimethylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one, F0580-0363
| Molecular Formula | C26H21N3O2S |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 5.45884 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.13544 |
| Heavy Atoms | 32 |
| Complexity | 1513.8568 |
Chemical Identifiers
| CAS Number | 536706-10-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=CC=C5)C |
Product Overview
3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536706-10-2), with molecular formula C26H21N3O2S and molecular weight 439.14 g/mol. IUPAC: 3-(3,5-dimethylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 5.45884 indicates that 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-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 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536706-10-2.
What is the molecular formula of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C26H21N3O2S.
What is the molecular weight of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 439.14 g/mol.
Where can I buy 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-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-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethylphenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.