![(E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/577/577694-95-2.png)
(E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 577694-95-2) is a chemical compound with molecular formula C25H21N5O4 and molecular weight 455.16 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-(pyridin-2-yloxymethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 7-methoxy-3-[(E)-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 7-methoxy-3-{[(E)-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 7-Methoxy-3-{[1-[4-methoxy-3-(pyridin-2-yloxymethyl)-phenyl]-meth-(E)-ylidene]-amino}-3,5-dihydro-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C25H21N5O4 |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 3.7512 |
| Topological Polar Surface Area | 103.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.15936 |
| Heavy Atoms | 34 |
| Complexity | 1556.9884 |
Chemical Identifiers
| CAS Number | 577694-95-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)/N=C/C4=CC(=C(C=C4)OC)COC5=CC=CC=N5 |
Product Overview
(E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 577694-95-2), with molecular formula C25H21N5O4 and molecular weight 455.16 g/mol. IUPAC: 7-methoxy-3-[(E)-[4-methoxy-3-(pyridin-2-yloxymethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.7512 indicates that (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)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 103.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 7 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-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 577694-95-2.
What is the molecular formula of (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C25H21N5O4.
What is the molecular weight of (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 455.16 g/mol.
Where can I buy (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)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)-7-methoxy-3-((4-methoxy-3-((pyridin-2-yloxy)methyl)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-((pyridin-2-yloxy)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.