2-(Hexadecylsulfonyl)-5-nitrobenzoic acid
TL;DR: 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid (CAS 95487-19-7) is a chemical compound with molecular formula C23H37NO6S and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecylsulfonyl-5-nitrobenzoic acid
Also Known As: 2-hexadecylsulfonyl-5-nitrobenzoic acid, 2-hexadecylsulfonyl-5-nitro-benzoic Acid, 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid
| Molecular Formula | C23H37NO6S |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 6.548 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 455.23416 |
| Heavy Atoms | 31 |
| Complexity | 791.2565 |
Chemical Identifiers
| CAS Number | 95487-19-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
Product Overview
2-(Hexadecylsulfonyl)-5-nitrobenzoic acid (CAS 95487-19-7), with molecular formula C23H37NO6S and molecular weight 455.23 g/mol. IUPAC: 2-hexadecylsulfonyl-5-nitrobenzoic acid.
Chemical Property Profile of 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid
Property Insights of 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid
The XLogP value of 6.548 indicates that 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(Hexadecylsulfonyl)-5-nitrobenzoic 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 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid?
The CAS number of 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid is 95487-19-7.
What is the molecular formula of 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid?
The molecular formula of 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid is C23H37NO6S.
What is the molecular weight of 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid?
The molecular weight of 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid is 455.23 g/mol.
Where can I buy 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid?
You can request a quote for 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hexadecylsulfonyl)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.