![4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide structure](/static/products/5164/516457-90-2.webp)
4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide (CAS 516457-90-2) is a chemical compound with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-anilinophenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide
Also Known As: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide, 4-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(4-(phenylamino)phenyl)piperazine-1-carbothioamide, N-(4-anilinophenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide, N-(4-anilinophenyl)-4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamide, [4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]{[4-(phenylamino)phenyl ]amino}methane-1-thione
| Molecular Formula | C25H26N4O2S |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 4.6735 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.17764 |
| Heavy Atoms | 32 |
| Complexity | 1067.0598 |
Chemical Identifiers
| CAS Number | 516457-90-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5 |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide (CAS 516457-90-2), with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol. IUPAC: N-(4-anilinophenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide
The XLogP value of 4.6735 indicates that 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide 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 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide is 516457-90-2.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide is C25H26N4O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide is 446.18 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide 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)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.