![9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/849/849019-63-2.png)
9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 849019-63-2) is a chemical compound with molecular formula C17H21N5O and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3-(2-piperazin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 9-methyl-3-(2-piperazin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one, 9-methyl-3-(2-(piperazin-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H21N5O |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.17462 |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 849019-63-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)NC3=C2N=CN(C3=O)CCN4CCNCC4 |
| InChIKey | NYDWQWIBZYJSOW-UHFFFAOYSA-N |
Product Overview
9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 849019-63-2), with molecular formula C17H21N5O and molecular weight 311.17 g/mol. IUPAC: 9-methyl-3-(2-piperazin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 2 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 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 849019-63-2.
What is the molecular formula of 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C17H21N5O.
What is the molecular weight of 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 311.17 g/mol.
Where can I buy 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-3-[2-(piperazin-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.