![1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine structure](/static/products/875/875302-40-2.png)
1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine
TL;DR: 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine (CAS 875302-40-2) is a chemical compound with molecular formula C21H22F2N2O5S and molecular weight 452.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
Also Known As: 1-[4-(difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine, [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
| Molecular Formula | C21H22F2N2O5S |
|---|---|
| Molecular Weight | 452.12 g/mol |
| LogP | 3.0551 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.12173 |
| Heavy Atoms | 31 |
| Complexity | 1036.9906 |
Chemical Identifiers
| CAS Number | 875302-40-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)OC(F)F |
Product Overview
1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine (CAS 875302-40-2), with molecular formula C21H22F2N2O5S and molecular weight 452.12 g/mol. IUPAC: [4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
Chemical Property Profile of 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine
Property Insights of 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine
The XLogP value of 3.0551 indicates that 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine. Following Lipinski's Rule of Five, 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine has 0 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 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine?
The CAS number of 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine is 875302-40-2.
What is the molecular formula of 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine?
The molecular formula of 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine is C21H22F2N2O5S.
What is the molecular weight of 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine?
The molecular weight of 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine is 452.12 g/mol.
Where can I buy 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine?
You can request a quote for 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Difluoromethoxy)-3-methoxybenzoyl]-4-(2-phenylethenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.