Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-
TL;DR: Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- (CAS 3601-81-8) is a chemical compound with molecular formula C17H20N4O3 and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methoxypyrimidine
Also Known As: 3,6-dimethyl-hept-6-en-4-yn-3-ol, 4-Methoxy-2-(4-piperonyl-1-piperazinyl)pyrimidine, Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-, 5-25-12-00477 (Beilstein Handbook Reference), 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methoxypyrimidine
| Molecular Formula | C17H20N4O3 |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.15353 |
| Heavy Atoms | 24 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 3601-81-8 |
|---|---|
| SMILES | COC1=NC(=NC=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | MXCVAUYTZGBTJV-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- (CAS 3601-81-8), with molecular formula C17H20N4O3 and molecular weight 328.15 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methoxypyrimidine.
Chemical Property Profile of Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-
Property Insights of Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-. Following Lipinski's Rule of Five, Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- has 0 hydrogen bond donor(s) and 7 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 Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-?
The CAS number of Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- is 3601-81-8.
What is the molecular formula of Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-?
The molecular formula of Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- is C17H20N4O3.
What is the molecular weight of Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-?
The molecular weight of Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- is 328.15 g/mol.
Where can I buy Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-?
You can request a quote for Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-methoxy-2-(4-piperonyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.