![1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine structure](/static/products/7123/712348-21-5.webp)
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine (CAS 712348-21-5) is a chemical compound with molecular formula C22H21N3O4 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
Also Known As: BAS 09529729, AN-329/43211336, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone, (5-phenylisoxazol-3-yl)-(4-piperonylpiperazino)methanone
| Molecular Formula | C22H21N3O4 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.0283 |
| Topological Polar Surface Area | 68.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1532 |
| Heavy Atoms | 29 |
| Complexity | 1009.9067 |
Chemical Identifiers
| CAS Number | 712348-21-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NOC(=C4)C5=CC=CC=C5 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine (CAS 712348-21-5), with molecular formula C22H21N3O4 and molecular weight 391.15 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine
The XLogP value of 3.0283 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine 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 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine is 712348-21-5.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine is C22H21N3O4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine is 391.15 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-phenyl-3-isoxazolyl)carbonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.