![3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536711-87-2.webp)
3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536711-87-2) is a chemical compound with molecular formula C24H18FN3OS and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0725, 3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H18FN3OS |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 5.60682 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.11545 |
| Heavy Atoms | 30 |
| Complexity | 1437.1239 |
Chemical Identifiers
| CAS Number | 536711-87-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536711-87-2), with molecular formula C24H18FN3OS and molecular weight 415.12 g/mol. IUPAC: 3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 5.60682 indicates that 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-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-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-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-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536711-87-2.
What is the molecular formula of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C24H18FN3OS.
What is the molecular weight of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 415.12 g/mol.
Where can I buy 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(4-fluorophenyl)-2-((2-methylbenzyl)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-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.