N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide
TL;DR: N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide (CAS 1023494-95-2) is a chemical compound with molecular formula C25H23F2N3OS and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide
Also Known As: N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide, (2,6-DIFLUOROPHENYL)-N-((4-(DIPHENYLMETHYL)PIPERAZINYL)THIOXOMETHYL)FORMAMIDE, N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluoro-benzamide, N-(4-Benzhydrylpiperazine-1-carbonothioyl)-2,6-difluorobenzamide, N-[4-(diphenylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide
| Molecular Formula | C25H23F2N3OS |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 4.3867 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.15298 |
| Heavy Atoms | 32 |
| Complexity | 1027.1058 |
Chemical Identifiers
| CAS Number | 1023494-95-2 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=C(C=CC=C4F)F |
Product Overview
N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide (CAS 1023494-95-2), with molecular formula C25H23F2N3OS and molecular weight 451.15 g/mol. IUPAC: N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide.
Chemical Property Profile of N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide
Property Insights of N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide
The XLogP value of 4.3867 indicates that N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide has 1 hydrogen bond donor(s) and 3 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-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide?
The CAS number of N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide is 1023494-95-2.
What is the molecular formula of N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide?
The molecular formula of N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide is C25H23F2N3OS.
What is the molecular weight of N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide?
The molecular weight of N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide is 451.15 g/mol.
Where can I buy N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide?
You can request a quote for N-(4-benzhydrylpiperazine-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-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-benzhydrylpiperazine-1-carbothioyl)-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.