1-Nitrohexadecyl phenyl sulfone
TL;DR: 1-Nitrohexadecyl phenyl sulfone (CAS 84065-84-9) is a chemical compound with molecular formula C22H37NO4S and molecular weight 411.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrohexadecylsulfonylbenzene
Also Known As: 1-nitrohexadecylsulfonylbenzene, 1-NITROHEXADECYL PHENYL SULFONE, 1-(benzenesulfonyl)-1-nitro-hexadecane
| Molecular Formula | C22H37NO4S |
|---|---|
| Molecular Weight | 411.24 g/mol |
| LogP | 6.5444 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 411.24432 |
| Heavy Atoms | 28 |
| Complexity | 631.19666 |
Chemical Identifiers
| CAS Number | 84065-84-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1 |
Product Overview
1-Nitrohexadecyl phenyl sulfone (CAS 84065-84-9), with molecular formula C22H37NO4S and molecular weight 411.24 g/mol. IUPAC: 1-nitrohexadecylsulfonylbenzene.
Chemical Property Profile of 1-Nitrohexadecyl phenyl sulfone
Property Insights of 1-Nitrohexadecyl phenyl sulfone
The XLogP value of 6.5444 indicates that 1-Nitrohexadecyl phenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitrohexadecyl phenyl sulfone. Following Lipinski's Rule of Five, 1-Nitrohexadecyl phenyl sulfone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Nitrohexadecyl phenyl sulfone?
The CAS number of 1-Nitrohexadecyl phenyl sulfone is 84065-84-9.
What is the molecular formula of 1-Nitrohexadecyl phenyl sulfone?
The molecular formula of 1-Nitrohexadecyl phenyl sulfone is C22H37NO4S.
What is the molecular weight of 1-Nitrohexadecyl phenyl sulfone?
The molecular weight of 1-Nitrohexadecyl phenyl sulfone is 411.24 g/mol.
Where can I buy 1-Nitrohexadecyl phenyl sulfone?
You can request a quote for 1-Nitrohexadecyl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrohexadecyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrohexadecyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.