![(E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/840/840485-66-7.webp)
(E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840485-66-7) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 7-methoxy-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 7-methoxy-3-({(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Technical Specifications
| Molecular Formula | C21H18N4O3 |
| Molecular Weight | 374.13788 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.13788 Da |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)/N=C/C4=CC=C(C=C4)OCC=C |
| InChIKey | YNYHPYAQLGXBOH-FSJBWODESA-N |
Chemical Property Profile of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.6 indicates that (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-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 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-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
What is the CAS number of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 840485-66-7.
What is the molecular formula of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C21H18N4O3.
What is the molecular weight of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 374.13788 g/mol.
Where can I buy (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-((4-(allyloxy)benzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.