![(E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/674/674352-61-5.png)
(E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 674352-61-5) is a chemical compound with molecular formula C20H19N5O3 and molecular weight 377.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-7-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2-hydroxy-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[(E)-(4-dimethylaminophenyl)methylideneamino]-7-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C20H19N5O3 |
|---|---|
| Molecular Weight | 377.15 g/mol |
| LogP | 2.1279 |
| Topological Polar Surface Area | 95.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1488 |
| Heavy Atoms | 28 |
| Complexity | 1310.1703 |
Chemical Identifiers
| CAS Number | 674352-61-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/N2C(=O)C3=C(C4=C(N3)C=C(C=C4)OC)NC2=O |
Product Overview
(E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 674352-61-5), with molecular formula C20H19N5O3 and molecular weight 377.15 g/mol. IUPAC: 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-7-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.1279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 95.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 hydrogen bond donor(s) and 5 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-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 674352-61-5.
What is the molecular formula of (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C20H19N5O3.
What is the molecular weight of (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 377.15 g/mol.
Where can I buy (E)-3-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((4-(dimethylamino)benzylidene)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-((4-(dimethylamino)benzylidene)amino)-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-(dimethylamino)benzylidene)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.