![(E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/372/372175-51-4.png)
(E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372175-51-4) is a chemical compound with molecular formula C20H15F4N5O and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-({(E)-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]methylidene}amino)-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[(E)-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H15F4N5O |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.69082 |
| Topological Polar Surface Area | 66.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.12128 |
| Heavy Atoms | 30 |
| Complexity | 1375.3395 |
Chemical Identifiers
| CAS Number | 372175-51-4 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=C(C(=C(C(=C3F)F)N(C)C)F)F)NC4=CC=CC=C42 |
Product Overview
(E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 372175-51-4), with molecular formula C20H15F4N5O and molecular weight 417.12 g/mol. IUPAC: 3-[(E)-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.69082 indicates that (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-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)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 372175-51-4.
What is the molecular formula of (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H15F4N5O.
What is the molecular weight of (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 417.12 g/mol.
Where can I buy (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-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)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-(dimethylamino)-2,3,5,6-tetrafluorobenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.