![3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid structure](/static/products/565/565191-72-2.png)
3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid
TL;DR: 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid (CAS 565191-72-2) is a chemical compound with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
Also Known As: 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid, 3-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)pyrazine-2-carboxylic acid, 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid, 3-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic Acid, 3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid
| Molecular Formula | C18H18N4O5 |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 0.8615 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.12772 |
| Heavy Atoms | 27 |
| Complexity | 879.8057 |
Chemical Identifiers
| CAS Number | 565191-72-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NC=CN=C4C(=O)O |
Product Overview
3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid (CAS 565191-72-2), with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid
Property Insights of 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid
The XLogP value of 0.8615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid has 1 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 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid?
The CAS number of 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid is 565191-72-2.
What is the molecular formula of 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid?
The molecular formula of 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid is C18H18N4O5.
What is the molecular weight of 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid?
The molecular weight of 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid is 370.13 g/mol.
Where can I buy 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid?
You can request a quote for 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}pyrazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.