![(E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/370/370855-88-2.png)
(E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 370855-88-2) is a chemical compound with molecular formula C20H15FN4O3 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 8-fluoro-2-hydroxy-3-({(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 8-fluoro-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C20H15FN4O3 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 2.7572 |
| Topological Polar Surface Area | 92.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.11282 |
| Heavy Atoms | 28 |
| Complexity | 1330.0697 |
Chemical Identifiers
| CAS Number | 370855-88-2 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C=N/N2C(=O)C3=C(C4=C(N3)C=CC(=C4)F)NC2=O |
Product Overview
(E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 370855-88-2), with molecular formula C20H15FN4O3 and molecular weight 378.11 g/mol. IUPAC: 8-fluoro-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 2.7572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. The TPSA of 92.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione has 2 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-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 370855-88-2.
What is the molecular formula of (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C20H15FN4O3.
What is the molecular weight of (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 378.11 g/mol.
Where can I buy (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-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-((4-(allyloxy)benzylidene)amino)-8-fluoro-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-(allyloxy)benzylidene)amino)-8-fluoro-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.