![(E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/672/672934-20-2.png)
(E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 672934-20-2) is a chemical compound with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-7-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-7-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 3-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-2-hydroxy-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H18N4O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 2.0791 |
| Topological Polar Surface Area | 110.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.12772 |
| Heavy Atoms | 29 |
| Complexity | 1363.3029 |
Chemical Identifiers
| CAS Number | 672934-20-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C(=O)N3)/N=C/C4=CC(=C(C=C4)OC)OC |
Product Overview
(E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 672934-20-2), with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol. IUPAC: 3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-7-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.0791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 110.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-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)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 672934-20-2.
What is the molecular formula of (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C20H18N4O5.
What is the molecular weight of (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 394.13 g/mol.
Where can I buy (E)-3-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((3,4-dimethoxybenzylidene)amino)-7-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-((3,4-dimethoxybenzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3,4-dimethoxybenzylidene)amino)-7-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.