![3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/400/400759-76-4.png)
3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 400759-76-4) is a chemical compound with molecular formula C22H20N4O2 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C22H20N4O2 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.91882 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.15863 |
| Heavy Atoms | 28 |
| Complexity | 1390.7423 |
Chemical Identifiers
| CAS Number | 400759-76-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCC4=CNC5=C4C=C(C=C5)OC |
Product Overview
3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 400759-76-4), with molecular formula C22H20N4O2 and molecular weight 372.16 g/mol. IUPAC: 3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.91882 indicates that 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-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 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 2 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-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 400759-76-4.
What is the molecular formula of 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C22H20N4O2.
What is the molecular weight of 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 372.16 g/mol.
Where can I buy 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-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-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.