1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine (CAS 414872-65-4) is a chemical compound with molecular formula C19H21ClN2O2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chlorophenyl)methyl]piperazine
Also Known As: AB00076931-01, 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chlorophenyl)methyl]piperazine, 1-(benzo[1,3]dioxol-5-ylmethyl)-4-[(3-chlorophenyl)methyl]piperazine, 1-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-4-[(3-CHLOROPHENYL)METHYL]PIPERAZINE
| Molecular Formula | C19H21ClN2O2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.12915 |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 414872-65-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | GNUBCLMLGOVQQW-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine (CAS 414872-65-4), with molecular formula C19H21ClN2O2 and molecular weight 344.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chlorophenyl)methyl]piperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine
The XLogP value of 3.5 indicates that 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine has 0 hydrogen bond donor(s) and 4 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-(3-chlorobenzyl)piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine is 414872-65-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine is C19H21ClN2O2.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine is 344.13 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)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-(3-chlorobenzyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-chlorobenzyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.