![(E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/840/840476-76-8.png)
(E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840476-76-8) is a chemical compound with molecular formula C24H25N5O2 and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-{[1-(4-Methoxy-3-pyrrolidin-1-ylmethyl-phenyl)-meth-(E)-ylidene]-amino}-8-methyl-3,5-dihydro-pyrimid o[5,4-b]indol-4-one
| Molecular Formula | C24H25N5O2 |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 3.67282 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.20084 |
| Heavy Atoms | 31 |
| Complexity | 1345.5934 |
Chemical Identifiers
| CAS Number | 840476-76-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)/N=C/C4=CC(=C(C=C4)OC)CN5CCCC5 |
Product Overview
(E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840476-76-8), with molecular formula C24H25N5O2 and molecular weight 415.20 g/mol. IUPAC: 3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.67282 indicates that (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-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 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 840476-76-8.
What is the molecular formula of (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C24H25N5O2.
What is the molecular weight of (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 415.20 g/mol.
Where can I buy (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-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-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.