![3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/488/488797-19-9.png)
3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 488797-19-9) is a chemical compound with molecular formula C27H31N5O2 and molecular weight 457.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, (E)-3-((3-((3,3-dimethylpiperidin-1-yl)methyl)-4-methoxybenzylidene)amino)-2-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[(E)-({3-[(3,3-Dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[(E)-[3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-{[1-[3-(3,3-Dimethyl-piperidin-1-ylmethyl)-4-methoxy-phenyl]-meth-(E)-ylidene]-amino}-2-methyl-3,5-di hydro-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C27H31N5O2 |
|---|---|
| Molecular Weight | 457.25 g/mol |
| LogP | 4.69902 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.24777 |
| Heavy Atoms | 34 |
| Complexity | 1446.9528 |
Chemical Identifiers
| CAS Number | 488797-19-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1/N=C/C3=CC(=C(C=C3)OC)CN4CCCC(C4)(C)C)NC5=CC=CC=C52 |
Product Overview
3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 488797-19-9), with molecular formula C27H31N5O2 and molecular weight 457.25 g/mol. IUPAC: 3-[(E)-[3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.69902 indicates that 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 1 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 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 488797-19-9.
What is the molecular formula of 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C27H31N5O2.
What is the molecular weight of 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 457.25 g/mol.
Where can I buy 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-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)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(E)-{3-[(3,3-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl}methylidene]amino}-2-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.