![(E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/488/488134-79-8.png)
(E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 488134-79-8) is a chemical compound with molecular formula C19H15FN4O and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(2-fluorophenyl)methylideneamino]-2,8-dimethyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-(2-fluorophenyl)methylideneamino]-2,8-dimethyl-5H-pyrimido[5,4-b]indol-4-one, 3-{[(E)-(2-fluorophenyl)methylidene]amino}-2,8-dimethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H15FN4O |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 3.51594 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.123 |
| Heavy Atoms | 25 |
| Complexity | 1203.4662 |
Chemical Identifiers
| CAS Number | 488134-79-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=C(N(C3=O)/N=C/C4=CC=CC=C4F)C |
Product Overview
(E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 488134-79-8), with molecular formula C19H15FN4O and molecular weight 334.12 g/mol. IUPAC: 3-[(E)-(2-fluorophenyl)methylideneamino]-2,8-dimethyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.51594 indicates that (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-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 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 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-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 488134-79-8.
What is the molecular formula of (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C19H15FN4O.
What is the molecular weight of (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 334.12 g/mol.
Where can I buy (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-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-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((2-fluorobenzylidene)amino)-2,8-dimethyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.