![(E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/839/839699-83-1.png)
(E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 839699-83-1) is a chemical compound with molecular formula C19H15FN4O4 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3-fluorophenyl)methylideneamino]-7,8-dimethoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(E)-(3-fluorophenyl)methylideneamino]-7,8-dimethoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 3-{[(E)-(3-fluorophenyl)methylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
| Molecular Formula | C19H15FN4O4 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 2.2096 |
| Topological Polar Surface Area | 101.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.10773 |
| Heavy Atoms | 28 |
| Complexity | 1350.0476 |
Chemical Identifiers
| CAS Number | 839699-83-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C(=O)N3)/N=C/C4=CC(=CC=C4)F)OC |
Product Overview
(E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 839699-83-1), with molecular formula C19H15FN4O4 and molecular weight 382.11 g/mol. IUPAC: 3-[(E)-(3-fluorophenyl)methylideneamino]-7,8-dimethoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.2096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 101.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-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-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 839699-83-1.
What is the molecular formula of (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C19H15FN4O4.
What is the molecular weight of (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 382.11 g/mol.
Where can I buy (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-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-fluorobenzylidene)amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3-fluorobenzylidene)amino)-7,8-dimethoxy-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.