Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride
TL;DR: Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride (CAS 87787-57-3) is a chemical compound with molecular formula C17H20Cl2N4O2 and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]pyrimidine;dihydrochloride
Also Known As: Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride, 2-(4-(1,4-Benzodioxin-6-ylmethyl)-1-piperazinyl)pyrimidine dihydrochloride, (Benzodioxinyl-6 methyl)-1 (pyrimidinyl-2)-4 piperazine dichlorhydrate [French], 1,4-Benzodioxin, 6-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-, dihydrochloride, Piperazine, 1-(1,4-benzodioxin-6-ylmethyl)-4-(2-pyrimidinyl)-, dihydrochloride
| Molecular Formula | C17H20Cl2N4O2 |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 2.8848 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.09634 |
| Heavy Atoms | 25 |
| Complexity | 707.04895 |
Chemical Identifiers
| CAS Number | 87787-57-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OC=CO3)C4=NC=CC=N4.Cl.Cl |
Product Overview
Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride (CAS 87787-57-3), with molecular formula C17H20Cl2N4O2 and molecular weight 382.10 g/mol. IUPAC: 2-[4-(1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]pyrimidine;dihydrochloride.
Chemical Property Profile of Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride
Property Insights of Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride
The XLogP value of 2.8848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 50.72 Ų, Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride has 0 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 Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride?
The CAS number of Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride is 87787-57-3.
What is the molecular formula of Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride?
The molecular formula of Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride is C17H20Cl2N4O2.
What is the molecular weight of Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride?
The molecular weight of Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride is 382.10 g/mol.
Where can I buy Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride?
You can request a quote for Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.