![(E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/714/714246-40-9.png)
(E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 714246-40-9) is a chemical compound with molecular formula C18H13N5O4 and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-[(E)-(4-nitrophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 7-methoxy-3-[(E)-(4-nitrophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 7-methoxy-3-{[(E)-(4-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H13N5O4 |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 2.6768 |
| Topological Polar Surface Area | 115.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.09674 |
| Heavy Atoms | 27 |
| Complexity | 1254.7131 |
Chemical Identifiers
| CAS Number | 714246-40-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)/N=C/C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 714246-40-9), with molecular formula C18H13N5O4 and molecular weight 363.10 g/mol. IUPAC: 7-methoxy-3-[(E)-(4-nitrophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.6768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 115.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 6 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)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 714246-40-9.
What is the molecular formula of (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H13N5O4.
What is the molecular weight of (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 363.10 g/mol.
Where can I buy (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-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)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-methoxy-3-((4-nitrobenzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.