![3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/859/859666-61-8.png)
3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 859666-61-8) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimido[5,4-b]indol-4-one
Also Known As: 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimido[5,4-b]indol-4-one, 3-[2-(4-methoxyphenyl)ethyl]-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 3.1395 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 1107.6521 |
Chemical Identifiers
| CAS Number | 859666-61-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CCC4=CC=C(C=C4)OC |
Product Overview
3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 859666-61-8), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: 3-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.1395 indicates that 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.05 Ų, 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one has 0 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-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 859666-61-8.
What is the molecular formula of 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H19N3O2.
What is the molecular weight of 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one is 333.15 g/mol.
Where can I buy 3-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(4-methoxyphenethyl)-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-(4-methoxyphenethyl)-5-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenethyl)-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.