![N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide structure](/static/products/4970/497060-90-9.webp)
N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide
TL;DR: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide (CAS 497060-90-9) is a chemical compound with molecular formula C20H19F2N3O3S and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide
Also Known As: 1-(2,6-DIFLUOROBENZOYL)-3-(4-(BENZO[3,4-D]1,3-DIOXOLEN-5-YLMETHYL)PIPERAZINYL)THIOUREA, N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide, AO-990/15068203, N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}-2,6-difluorobenzamide, N-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonothioyl)-2,6-difluorobenzamide
| Molecular Formula | C20H19F2N3O3S |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 2.526 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.1115 |
| Heavy Atoms | 29 |
| Complexity | 928.31384 |
Chemical Identifiers
| CAS Number | 497060-90-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=C(C=CC=C4F)F |
Product Overview
N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide (CAS 497060-90-9), with molecular formula C20H19F2N3O3S and molecular weight 419.11 g/mol. IUPAC: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide.
Chemical Property Profile of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide
Property Insights of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide
The XLogP value of 2.526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide. With a topological polar surface area (TPSA) of 54.04 Ų, N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide has 1 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 N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide?
The CAS number of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide is 497060-90-9.
What is the molecular formula of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide?
The molecular formula of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide is C20H19F2N3O3S.
What is the molecular weight of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide?
The molecular weight of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide is 419.11 g/mol.
Where can I buy N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide?
You can request a quote for N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.