![(E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione structure](/static/products/674/674366-35-9.png)
(E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
TL;DR: (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 674366-35-9) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(4-butoxyphenyl)methylideneamino]-9-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[(E)-(4-butoxyphenyl)methylideneamino]-9-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione, 3-{[(E)-(4-butoxyphenyl)methylidene]amino}-2-hydroxy-9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 3.2408 |
| Topological Polar Surface Area | 101.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 1329.7563 |
Chemical Identifiers
| CAS Number | 674366-35-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=N/N2C(=O)C3=C(C4=C(N3)C=CC=C4OC)NC2=O |
Product Overview
(E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione (CAS 674366-35-9), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: 3-[(E)-(4-butoxyphenyl)methylideneamino]-9-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Property Insights of (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
The XLogP value of 3.2408 indicates that (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-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-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The CAS number of (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 674366-35-9.
What is the molecular formula of (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular formula of (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is C22H22N4O4.
What is the molecular weight of (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
The molecular weight of (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione is 406.16 g/mol.
Where can I buy (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
You can request a quote for (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-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-butoxybenzylidene)amino)-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-butoxybenzylidene)amino)-9-methoxy-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.