Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride
TL;DR: Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride (CAS 3459-25-4) is a chemical compound with molecular formula C19H21ClN2O4 and molecular weight 376.12 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]-(2-hydroxyphenyl)methanone;hydrochloride
Also Known As: 1-(2-Hydroxybenzoyl)-4-piperonylpiperazine hydrochloride, Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride, 2-(4-Piperonylpiperazin-1-ylcarbonyl)phenol hydrochloride, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxyphe, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone hydrochloride
| Molecular Formula | C19H21ClN2O4 |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 2.5007 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.119 |
| Heavy Atoms | 26 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 3459-25-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4O.Cl |
| InChIKey | LOSLLSRGTKWVJP-UHFFFAOYSA-N |
Product Overview
Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride (CAS 3459-25-4), with molecular formula C19H21ClN2O4 and molecular weight 376.12 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone;hydrochloride.
Chemical Property Profile of Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride
Property Insights of Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride
The XLogP value of 2.5007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride. Following Lipinski's Rule of Five, Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride has 2 hydrogen bond donor(s) and 5 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 Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride?
The CAS number of Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride is 3459-25-4.
What is the molecular formula of Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride?
The molecular formula of Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride is C19H21ClN2O4.
What is the molecular weight of Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride?
The molecular weight of Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride is 376.12 g/mol.
Where can I buy Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride?
You can request a quote for Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(4-piperonylpiperazin-1-ylcarbonyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.