![(E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/848/848728-85-8.png)
(E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 848728-85-8) is a chemical compound with molecular formula C24H18FN5O2S and molecular weight 459.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-fluoro-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 8-fluoro-3-{[(E)-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 8-Fluoro-3-{[1-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)-phenyl]-meth-(E)-ylidene]-amino}-3,5-dihydro-p yrimido[5,4-b]indol-4-one
| Molecular Formula | C24H18FN5O2S |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 4.595 |
| Topological Polar Surface Area | 85.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.11652 |
| Heavy Atoms | 33 |
| Complexity | 1545.8894 |
Chemical Identifiers
| CAS Number | 848728-85-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)CSC5=CC=CC=N5 |
Product Overview
(E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 848728-85-8), with molecular formula C24H18FN5O2S and molecular weight 459.12 g/mol. IUPAC: 8-fluoro-3-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.595 indicates that (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-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 85.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 6 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 (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 848728-85-8.
What is the molecular formula of (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C24H18FN5O2S.
What is the molecular weight of (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 459.12 g/mol.
Where can I buy (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-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 (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-fluoro-3-((4-methoxy-3-((pyridin-2-ylthio)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.