![2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536710-65-3.webp)
2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536710-65-3) is a chemical compound with molecular formula C24H23FN4O2S and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, G856-1131, 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0661, 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H23FN4O2S |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 4.5008 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.1526 |
| Heavy Atoms | 32 |
| Complexity | 1338.1278 |
Chemical Identifiers
| CAS Number | 536710-65-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536710-65-3), with molecular formula C24H23FN4O2S and molecular weight 450.15 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.5008 indicates that 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-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 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 4 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 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536710-65-3.
What is the molecular formula of 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C24H23FN4O2S.
What is the molecular weight of 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 450.15 g/mol.
Where can I buy 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-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 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-fluorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.