5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid
TL;DR: 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid (CAS 199461-25-1) is a chemical compound with molecular formula C23H37FO4S2 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluorosulfonyl-2-hexadecylsulfanylbenzoic acid
Also Known As: starbld0018105, 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid, 5-FLUOROSULFONYL-2-(HEXADECYLTHIO)BENZOIC ACID, 5-fluorosulfonyl-2-hexadecylsulfanyl-benzoic Acid, 5-fluorosulfonyl-2-hexadecylsulfanylbenzoic acid
| Molecular Formula | C23H37FO4S2 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 7.6164 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 460.21173 |
| Heavy Atoms | 30 |
| Complexity | 719.9133 |
Chemical Identifiers
| CAS Number | 199461-25-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)O |
Product Overview
5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid (CAS 199461-25-1), with molecular formula C23H37FO4S2 and molecular weight 460.21 g/mol. IUPAC: 5-fluorosulfonyl-2-hexadecylsulfanylbenzoic acid.
Chemical Property Profile of 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid
Property Insights of 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid
The XLogP value of 7.6164 indicates that 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid. Following Lipinski's Rule of Five, 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid has 1 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 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid?
The CAS number of 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid is 199461-25-1.
What is the molecular formula of 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid?
The molecular formula of 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid is C23H37FO4S2.
What is the molecular weight of 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid?
The molecular weight of 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid is 460.21 g/mol.
Where can I buy 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid?
You can request a quote for 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Fluorosulfonyl)-2-(hexadecylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.