![3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/859/859658-87-0.png)
3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 859658-87-0) is a chemical compound with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one
Also Known As: 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one, 3-[2-(1H-imidazol-4-yl)ethyl]-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H17N5O2 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 1.8626 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.1382 |
| Heavy Atoms | 24 |
| Complexity | 1075.9454 |
Chemical Identifiers
| CAS Number | 859658-87-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CCC4=CN=CN4 |
Product Overview
3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 859658-87-0), with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol. IUPAC: 3-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 1.8626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 77.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 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 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 859658-87-0.
What is the molecular formula of 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C17H17N5O2.
What is the molecular weight of 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 323.14 g/mol.
Where can I buy 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-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-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(1H-imidazol-4-yl)ethyl)-8-methoxy-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.