![(E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/370/370850-98-9.png)
(E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 370850-98-9) is a chemical compound with molecular formula C20H17FN4O5 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 8-fluoro-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 8-fluoro-3-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
| Molecular Formula | C20H17FN4O5 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 2.2182 |
| Topological Polar Surface Area | 110.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1183 |
| Heavy Atoms | 30 |
| Complexity | 1391.738 |
Chemical Identifiers
| CAS Number | 370850-98-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=O |
Product Overview
(E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 370850-98-9), with molecular formula C20H17FN4O5 and molecular weight 412.12 g/mol. IUPAC: 8-fluoro-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.2182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 110.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 hydrogen bond donor(s) and 6 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)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 370850-98-9.
What is the molecular formula of (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C20H17FN4O5.
What is the molecular weight of (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 412.12 g/mol.
Where can I buy (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-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)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-fluoro-3-((3,4,5-trimethoxybenzylidene)amino)-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.