![(E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/848/848065-03-2.png)
(E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 848065-03-2) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-[(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 7-methoxy-3-({(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 7-methoxy-3-[(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 7-Methoxy-3-{[1-(4-methoxy-3-piperidin-1-ylmethyl-phenyl)-meth-(E)-ylidene]-amino}-3,5-dihydro-pyrimi do[5,4-b]indol-4-one
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 3.7631 |
| Topological Polar Surface Area | 84.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1382.328 |
Chemical Identifiers
| CAS Number | 848065-03-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)/N=C/C4=CC(=C(C=C4)OC)CN5CCCCC5 |
Product Overview
(E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 848065-03-2), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: 7-methoxy-3-[(E)-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.7631 indicates that (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)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 84.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)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)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 848065-03-2.
What is the molecular formula of (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C25H27N5O3.
What is the molecular weight of (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 445.21 g/mol.
Where can I buy (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)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)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-methoxy-3-((4-methoxy-3-(piperidin-1-ylmethyl)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.