![7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/836/836638-86-9.png)
7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 836638-86-9) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-3-(2-piperazin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 7,8-dimethoxy-3-(2-piperazin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 0.8002 |
| Topological Polar Surface Area | 84.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 987.8048 |
Chemical Identifiers
| CAS Number | 836638-86-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CCN4CCNCC4)OC |
Product Overview
7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 836638-86-9), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 7,8-dimethoxy-3-(2-piperazin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 0.8002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 84.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one has 2 hydrogen bond donor(s) and 6 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 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 836638-86-9.
What is the molecular formula of 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H23N5O3.
What is the molecular weight of 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 357.18 g/mol.
Where can I buy 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-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 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethoxy-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.