sulfanyl]methyl}phenyl)methanone structure](/static/products/5301/530119-87-0.webp)
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone
TL;DR: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone (CAS 530119-87-0) is a chemical compound with molecular formula C26H25ClN2O3S and molecular weight 480.13 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]-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]methanone
Also Known As: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone|[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]methanone|1-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-4-(4-{[(4-CHLOROPHENYL)SULFANYL]METHYL}BENZOYL)PIPERAZINE
| Molecular Formula | C26H25ClN2O3S |
|---|---|
| Molecular Weight | 480.13 g/mol |
| LogP | 5.319 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.12744 |
| Heavy Atoms | 33 |
| Complexity | 1113.3859 |
Chemical Identifiers
| CAS Number | 530119-87-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CSC5=CC=C(C=C5)Cl |
Product Overview
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone (CAS 530119-87-0), with molecular formula C26H25ClN2O3S and molecular weight 480.13 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]methanone.
Chemical Property Profile of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone
Property Insights of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone
The XLogP value of 5.319 indicates that [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)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](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)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](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone?
The CAS number of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone is 530119-87-0.
What is the molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone?
The molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone is C26H25ClN2O3S.
What is the molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone?
The molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone is 480.13 g/mol.
Where can I buy [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone?
You can request a quote for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)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](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-{[(4-chlorophenyl)sulfanyl]methyl}phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.