![(E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/672/672339-25-2.png)
(E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 672339-25-2) is a chemical compound with molecular formula C18H13N5O5 and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-[(E)-(3-nitrophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 2-hydroxy-7-methoxy-3-{[(E)-(3-nitrophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 7-methoxy-3-[(E)-(3-nitrophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C18H13N5O5 |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 1.9701 |
| Topological Polar Surface Area | 135.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09167 |
| Heavy Atoms | 28 |
| Complexity | 1378.8971 |
Chemical Identifiers
| CAS Number | 672339-25-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C(=O)N3)/N=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 672339-25-2), with molecular formula C18H13N5O5 and molecular weight 379.09 g/mol. IUPAC: 7-methoxy-3-[(E)-(3-nitrophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 1.9701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 135.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 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-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 672339-25-2.
What is the molecular formula of (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C18H13N5O5.
What is the molecular weight of (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 379.09 g/mol.
Where can I buy (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-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)-7-methoxy-3-((3-nitrobenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-methoxy-3-((3-nitrobenzylidene)amino)-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.