![3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/488/488102-54-1.png)
3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 488102-54-1) is a chemical compound with molecular formula C25H26N4O and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[(2E)-2-benzylideneheptylidene]amino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-[(2E)-2-benzylideneheptylidene]amino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-{[(1E,2E)-2-benzylideneheptylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C25H26N4O |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 5.68402 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.21066 |
| Heavy Atoms | 30 |
| Complexity | 1279.2468 |
Chemical Identifiers
| CAS Number | 488102-54-1 |
|---|---|
| SMILES | CCCCC/C(=C\C1=CC=CC=C1)/C=N/N2C(=NC3=C(C2=O)NC4=CC=CC=C43)C |
Product Overview
3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 488102-54-1), with molecular formula C25H26N4O and molecular weight 398.21 g/mol. IUPAC: 3-[(E)-[(2E)-2-benzylideneheptylidene]amino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 5.68402 indicates that 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-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 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 488102-54-1.
What is the molecular formula of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C25H26N4O.
What is the molecular weight of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 398.21 g/mol.
Where can I buy 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-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 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((E)-((E)-2-benzylideneheptylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.