![[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone structure](/static/products/7090/709006-76-8.webp)
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone
TL;DR: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone (CAS 709006-76-8) is a chemical compound with molecular formula C20H21ClN2O3 and molecular weight 372.12 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]-(3-chloro-4-methylphenyl)methanone
Also Known As: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone|[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](3-chloro-4-methylphenyl)methanone|[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methyl-phenyl)methanone
| Molecular Formula | C20H21ClN2O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.33512 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.12408 |
| Heavy Atoms | 26 |
| Complexity | 831.80115 |
Chemical Identifiers
| CAS Number | 709006-76-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl |
Product Overview
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone (CAS 709006-76-8), with molecular formula C20H21ClN2O3 and molecular weight 372.12 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone.
Chemical Property Profile of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone
Property Insights of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone
The XLogP value of 3.33512 indicates that [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone 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 [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The CAS number of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone is 709006-76-8.
What is the molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone is C20H21ClN2O3.
What is the molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone?
The molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone is 372.12 g/mol.
Where can I buy [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone?
You can request a quote for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.