(3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
TL;DR: (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CAS 428827-64-9) is a chemical compound with molecular formula C14H19N3O5S and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
Also Known As: 3-nitrophenyl 4-(propylsulfonyl)piperazinyl ketone, (3-nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone, (3-nitrophenyl)[4-(propylsulfonyl)piperazin-1-yl]methanone, (3-NITROPHENYL)[4-(PROPYLSULFONYL)PIPERAZINO]METHANONE, Cambridge id 6508528
| Molecular Formula | C14H19N3O5S |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.10455 |
| Heavy Atoms | 23 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 428827-64-9 |
|---|---|
| SMILES | CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | GZQDJJVYRMZWOF-UHFFFAOYSA-N |
Product Overview
(3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CAS 428827-64-9), with molecular formula C14H19N3O5S and molecular weight 341.10 g/mol. IUPAC: (3-nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.
Chemical Property Profile of (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
Property Insights of (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone 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 (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The CAS number of (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is 428827-64-9.
What is the molecular formula of (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The molecular formula of (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is C14H19N3O5S.
What is the molecular weight of (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The molecular weight of (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is 341.10 g/mol.
Where can I buy (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
You can request a quote for (3-Nitrophenyl)-(4-propylsulfonylpiperazin-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 (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.