![4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole structure](/static/products/840/840471-85-4.png)
4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
TL;DR: 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole (CAS 840471-85-4) is a chemical compound with molecular formula C20H18N4O and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Also Known As: 4-(3,4-Dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indole, 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
| Molecular Formula | C20H18N4O |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 3.6824 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.14807 |
| Heavy Atoms | 25 |
| Complexity | 1085.6444 |
Chemical Identifiers
| CAS Number | 840471-85-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCC5=CC=CC=C5C4 |
Product Overview
4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole (CAS 840471-85-4), with molecular formula C20H18N4O and molecular weight 330.15 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
Property Insights of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole
The XLogP value of 3.6824 indicates that 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole 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 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole?
The CAS number of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole is 840471-85-4.
What is the molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole?
The molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole is C20H18N4O.
What is the molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole?
The molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole is 330.15 g/mol.
Where can I buy 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole?
You can request a quote for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methoxy-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.