4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid
TL;DR: 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid (CAS 95808-26-7) is a chemical compound with molecular formula C22H37NO6S and molecular weight 443.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexadecoxy-3-nitrobenzenesulfonic acid
Also Known As: 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid, 4-hexadecoxy-3-nitrobenzenesulfonic acid, 4-hexadecoxy-3-nitro-benzenesulfonic Acid
| Molecular Formula | C22H37NO6S |
|---|---|
| Molecular Weight | 443.23 g/mol |
| LogP | 6.7016 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 443.23416 |
| Heavy Atoms | 30 |
| Complexity | 720.338 |
Chemical Identifiers
| CAS Number | 95808-26-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-] |
Product Overview
4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid (CAS 95808-26-7), with molecular formula C22H37NO6S and molecular weight 443.23 g/mol. IUPAC: 4-hexadecoxy-3-nitrobenzenesulfonic acid.
Chemical Property Profile of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid
Property Insights of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid
The XLogP value of 6.7016 indicates that 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid. Following Lipinski's Rule of Five, 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid?
The CAS number of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid is 95808-26-7.
What is the molecular formula of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid?
The molecular formula of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid is C22H37NO6S.
What is the molecular weight of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid?
The molecular weight of 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid is 443.23 g/mol.
Where can I buy 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid?
You can request a quote for 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hexadecyloxy)-3-nitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.