(4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone
TL;DR: (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone (CAS 519005-80-2) is a chemical compound with molecular formula C18H19N3O5S and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone
Also Known As: 3-nitrophenyl 4-[benzylsulfonyl]piperazinyl ketone, (4-benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone, [4-(benzylsulfonyl)piperazin-1-yl](3-nitrophenyl)methanone, 1-(3-NITROBENZOYL)-4-PHENYLMETHANESULFONYLPIPERAZINE, [4-(BENZYLSULFONYL)PIPERAZINO](3-NITROPHENYL)METHANONE
| Molecular Formula | C18H19N3O5S |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 1.8826 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.10455 |
| Heavy Atoms | 27 |
| Complexity | 938.47925 |
Chemical Identifiers
| CAS Number | 519005-80-2 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3 |
Product Overview
(4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone (CAS 519005-80-2), with molecular formula C18H19N3O5S and molecular weight 389.10 g/mol. IUPAC: (4-benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone.
Chemical Property Profile of (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone
Property Insights of (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone
The XLogP value of 1.8826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)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-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone?
The CAS number of (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone is 519005-80-2.
What is the molecular formula of (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone?
The molecular formula of (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone is C18H19N3O5S.
What is the molecular weight of (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone?
The molecular weight of (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone is 389.10 g/mol.
Where can I buy (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone?
You can request a quote for (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.