![2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol structure](/static/products/727/727390-48-9.png)
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol
TL;DR: 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol (CAS 727390-48-9) is a chemical compound with molecular formula C23H24N4O4 and molecular weight 420.18 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]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-5-benzyl-6-hydroxypyrimidin-4(3H)-one, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol, 2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-6-hydroxy-3H-pyrimidin-4-one
| Molecular Formula | C23H24N4O4 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 2.1172 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.17975 |
| Heavy Atoms | 31 |
| Complexity | 1124.1655 |
Chemical Identifiers
| CAS Number | 727390-48-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(=C(C(=O)N4)CC5=CC=CC=C5)O |
Product Overview
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol (CAS 727390-48-9), with molecular formula C23H24N4O4 and molecular weight 420.18 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol
Property Insights of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol
The XLogP value of 2.1172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol has 2 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 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol?
The CAS number of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol is 727390-48-9.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol is C23H24N4O4.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol is 420.18 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-benzylpyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.