1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
TL;DR: 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone (CAS 831211-07-5) is a chemical compound with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
Also Known As: 1-(4-methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone, 1-(4-methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone, 1-(4-methylpiperazin-1-yl)-2-[2-methyl-4-(pyrrolidin-1-ylsulfonyl)phenoxy]ethanone, 1-(4-methylpiperazino)-2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-ethanone
| Molecular Formula | C18H27N3O4S |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 0.93232 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.17224 |
| Heavy Atoms | 26 |
| Complexity | 751.69977 |
Chemical Identifiers
| CAS Number | 831211-07-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)N3CCN(CC3)C |
Product Overview
1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone (CAS 831211-07-5), with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol. IUPAC: 1-(4-methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone.
Chemical Property Profile of 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
Property Insights of 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
The XLogP value of 0.93232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone. Following Lipinski's Rule of Five, 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone 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-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
The CAS number of 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone is 831211-07-5.
What is the molecular formula of 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
The molecular formula of 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone is C18H27N3O4S.
What is the molecular weight of 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
The molecular weight of 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone is 381.17 g/mol.
Where can I buy 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
You can request a quote for 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylpiperazin-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.