![(E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/300/300587-29-5.png)
(E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 300587-29-5) is a chemical compound with molecular formula C19H17N5O and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-(4-dimethylaminophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-one, 3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H17N5O |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.826 |
| Topological Polar Surface Area | 66.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.1433 |
| Heavy Atoms | 25 |
| Complexity | 1136.1215 |
Chemical Identifiers
| CAS Number | 300587-29-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/N2C=NC3=C(C2=O)NC4=CC=CC=C43 |
Product Overview
(E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 300587-29-5), with molecular formula C19H17N5O and molecular weight 331.14 g/mol. IUPAC: 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 66.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 300587-29-5.
What is the molecular formula of (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C19H17N5O.
What is the molecular weight of (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 331.14 g/mol.
Where can I buy (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((4-(dimethylamino)benzylidene)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)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-(dimethylamino)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.