![(E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/674/674358-97-5.png)
(E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 674358-97-5) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 2-hydroxy-9-methoxy-3-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 9-methoxy-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 3.1853 |
| Topological Polar Surface Area | 92.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 1307.9799 |
Chemical Identifiers
| CAS Number | 674358-97-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=N/N2C(=O)C3=C(C4=C(N3)C=CC=C4OC)NC2=O |
Product Overview
(E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 674358-97-5), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: 9-methoxy-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 3.1853 indicates that (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 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-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 674358-97-5.
What is the molecular formula of (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C21H20N4O3.
What is the molecular weight of (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 376.15 g/mol.
Where can I buy (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione 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)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-isopropylbenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.