(4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
TL;DR: (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CAS 774575-06-3) is a chemical compound with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
Also Known As: (4-methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone, 4-methyl-3-nitrophenyl 4-(methylsulfonyl)piperazinyl ketone, (4-methyl-3-nitrophenyl)[4-(methylsulfonyl)piperazin-1-yl]methanone, (4-METHYL-3-NITROPHENYL)[4-(METHYLSULFONYL)PIPERAZINO]METHANONE
| Molecular Formula | C13H17N3O5S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 0.62062 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.0889 |
| Heavy Atoms | 22 |
| Complexity | 708.3858 |
Chemical Identifiers
| CAS Number | 774575-06-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
(4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CAS 774575-06-3), with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol. IUPAC: (4-methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
Chemical Property Profile of (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
Property Insights of (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
The XLogP value of 0.62062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone 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 (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The CAS number of (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is 774575-06-3.
What is the molecular formula of (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The molecular formula of (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is C13H17N3O5S.
What is the molecular weight of (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The molecular weight of (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is 327.09 g/mol.
Where can I buy (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
You can request a quote for (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-nitrophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.