![(E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/372/372082-80-9.png)
(E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372082-80-9) is a chemical compound with molecular formula C21H20N4O and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-methyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 2-methyl-3-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C21H20N4O |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 4.19182 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.1637 |
| Heavy Atoms | 26 |
| Complexity | 1180.5581 |
Chemical Identifiers
| CAS Number | 372082-80-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC=C(C=C3)C(C)C)NC4=CC=CC=C42 |
Product Overview
(E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372082-80-9), with molecular formula C21H20N4O and molecular weight 344.16 g/mol. IUPAC: 2-methyl-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.19182 indicates that (E)-3-((4-isopropylbenzylidene)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 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 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-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 372082-80-9.
What is the molecular formula of (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C21H20N4O.
What is the molecular weight of (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 344.16 g/mol.
Where can I buy (E)-3-((4-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((4-isopropylbenzylidene)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-isopropylbenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-isopropylbenzylidene)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.