4-Piperidino-3-nitrophenyl sulfone
TL;DR: 4-Piperidino-3-nitrophenyl sulfone (CAS 23836-43-3) is a chemical compound with molecular formula C22H26N4O6S and molecular weight 474.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-nitro-4-(3-nitro-4-piperidin-1-ylphenyl)sulfonylphenyl]piperidine
Also Known As: 4-Piperidino-3-nitrophenyl sulfone, AmbscPOD_29/0089, Bis(4-piperidino-3-nitrophenyl)sulfone, BAS 00313270, 1,1'-[Sulfonylbis(2-nitro-4,1-phenylene)]dipiperidine
| Molecular Formula | C22H26N4O6S |
|---|---|
| Molecular Weight | 474.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.15732 |
| Heavy Atoms | 33 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 23836-43-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SVXKYEHWQZMHLB-UHFFFAOYSA-N |
Product Overview
4-Piperidino-3-nitrophenyl sulfone (CAS 23836-43-3), with molecular formula C22H26N4O6S and molecular weight 474.16 g/mol. IUPAC: 1-[2-nitro-4-(3-nitro-4-piperidin-1-ylphenyl)sulfonylphenyl]piperidine.
Chemical Property Profile of 4-Piperidino-3-nitrophenyl sulfone
Property Insights of 4-Piperidino-3-nitrophenyl sulfone
The XLogP value of 4.3 indicates that 4-Piperidino-3-nitrophenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-Piperidino-3-nitrophenyl sulfone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Piperidino-3-nitrophenyl sulfone has 0 hydrogen bond donor(s) and 8 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-Piperidino-3-nitrophenyl sulfone?
The CAS number of 4-Piperidino-3-nitrophenyl sulfone is 23836-43-3.
What is the molecular formula of 4-Piperidino-3-nitrophenyl sulfone?
The molecular formula of 4-Piperidino-3-nitrophenyl sulfone is C22H26N4O6S.
What is the molecular weight of 4-Piperidino-3-nitrophenyl sulfone?
The molecular weight of 4-Piperidino-3-nitrophenyl sulfone is 474.16 g/mol.
Where can I buy 4-Piperidino-3-nitrophenyl sulfone?
You can request a quote for 4-Piperidino-3-nitrophenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidino-3-nitrophenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidino-3-nitrophenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.