![(E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/844/844461-71-8.png)
(E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 844461-71-8) is a chemical compound with molecular formula C17H10ClFN4O and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3-chlorophenyl)methylideneamino]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-(3-chlorophenyl)methylideneamino]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one, 3-{[(E)-(3-chlorophenyl)methylidene]amino}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H10ClFN4O |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.5525 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.0527 |
| Heavy Atoms | 24 |
| Complexity | 1162.3927 |
Chemical Identifiers
| CAS Number | 844461-71-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)/C=N/N2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F |
Product Overview
(E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 844461-71-8), with molecular formula C17H10ClFN4O and molecular weight 340.05 g/mol. IUPAC: 3-[(E)-(3-chlorophenyl)methylideneamino]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.5525 indicates that (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-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 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-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 (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one is 844461-71-8.
What is the molecular formula of (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one is C17H10ClFN4O.
What is the molecular weight of (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one is 340.05 g/mol.
Where can I buy (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-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)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-chlorobenzylidene)amino)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.