![3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/896/896837-91-5.png)
3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 896837-91-5) is a chemical compound with molecular formula C17H17N5O and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one, 3-(3-(1H-imidazol-1-yl)propyl)-7-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[3-(1H-imidazol-1-yl)propyl]-7-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H17N5O |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.47302 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.1433 |
| Heavy Atoms | 23 |
| Complexity | 1026.4396 |
Chemical Identifiers
| CAS Number | 896837-91-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCCN4C=CN=C4 |
Product Overview
3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one (CAS 896837-91-5), with molecular formula C17H17N5O and molecular weight 307.14 g/mol. IUPAC: 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.47302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 3 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-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one is 896837-91-5.
What is the molecular formula of 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one is C17H17N5O.
What is the molecular weight of 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one is 307.14 g/mol.
Where can I buy 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-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-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-imidazol-1-ylpropyl)-7-methyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.