![(E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/371/371950-13-9.png)
(E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 371950-13-9) is a chemical compound with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-methyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 2-methyl-3-({(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C21H18N4O2 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 3.63322 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.14297 |
| Heavy Atoms | 27 |
| Complexity | 1216.8766 |
Chemical Identifiers
| CAS Number | 371950-13-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC=C(C=C3)OCC=C)NC4=CC=CC=C42 |
Product Overview
(E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 371950-13-9), with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol. IUPAC: 2-methyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.63322 indicates that (E)-3-((4-(allyloxy)benzylidene)amino)-2-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 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 4 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-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 371950-13-9.
What is the molecular formula of (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C21H18N4O2.
What is the molecular weight of (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 358.14 g/mol.
Where can I buy (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((4-(allyloxy)benzylidene)amino)-2-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-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-(allyloxy)benzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.