1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
TL;DR: 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine (CAS 333757-08-7) is a chemical compound with molecular formula C15H22N2O6S and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: BAS 03050058, AT-057/43313971, 1-(methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine, (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone, [4-(methylsulfonyl)piperazin-1-yl](3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C15H22N2O6S |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 0.4298 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.11984 |
| Heavy Atoms | 24 |
| Complexity | 685.6696 |
Chemical Identifiers
| CAS Number | 333757-08-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)S(=O)(=O)C |
Product Overview
1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine (CAS 333757-08-7), with molecular formula C15H22N2O6S and molecular weight 358.12 g/mol. IUPAC: (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
Property Insights of 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
The XLogP value of 0.4298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine has 0 hydrogen bond donor(s) and 6 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-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
The CAS number of 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine is 333757-08-7.
What is the molecular formula of 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
The molecular formula of 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine is C15H22N2O6S.
What is the molecular weight of 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
The molecular weight of 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine is 358.12 g/mol.
Where can I buy 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
You can request a quote for 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylsulfonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.