![(E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/370/370844-20-5.png)
(E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 370844-20-5) is a chemical compound with molecular formula C24H24FN5O3 and molecular weight 449.19 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-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 8-fluoro-3-({(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 8-fluoro-3-[(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 8-Fluoro-3-{[1-(4-methoxy-3-piperidin-1-ylmethyl-phenyl)-meth-(E)-ylidene]-amino}-1,5-dihydro-pyrimid o[5,4-b]indole-2,4-dione
| Molecular Formula | C24H24FN5O3 |
|---|---|
| Molecular Weight | 449.19 g/mol |
| LogP | 3.1869 |
| Topological Polar Surface Area | 95.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.1863 |
| Heavy Atoms | 33 |
| Complexity | 1477.5029 |
Chemical Identifiers
| CAS Number | 370844-20-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=O)CN5CCCCC5 |
Product Overview
(E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 370844-20-5), with molecular formula C24H24FN5O3 and molecular weight 449.19 g/mol. IUPAC: 8-fluoro-3-[(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 3.1869 indicates that (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 hydrogen bond donor(s) and 5 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-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 370844-20-5.
What is the molecular formula of (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C24H24FN5O3.
What is the molecular weight of (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 449.19 g/mol.
Where can I buy (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione 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-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-fluoro-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.