2-Hexadecoxy-5-sulfobenzoic acid
TL;DR: 2-Hexadecoxy-5-sulfobenzoic acid (CAS 198971-81-2) is a chemical compound with molecular formula C23H38O6S and molecular weight 442.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecoxy-5-sulfobenzoic acid
Also Known As: 2-hexadecoxy-5-sulfobenzoic acid, 2-(hexadecyloxy)-5-sulfobenzoic acid, 2-hexadecoxy-5-sulfo-benzoic Acid, 2-hexadecyloxy-5-sulfobenzoic acid, Benzoic acid, 2-(hexadecyloxy)-5-sulfo-
| Molecular Formula | C23H38O6S |
|---|---|
| Molecular Weight | 442.24 g/mol |
| LogP | 6.4916 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 442.23892 |
| Heavy Atoms | 30 |
| Complexity | 714.40356 |
Chemical Identifiers
| CAS Number | 198971-81-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O |
Product Overview
2-Hexadecoxy-5-sulfobenzoic acid (CAS 198971-81-2), with molecular formula C23H38O6S and molecular weight 442.24 g/mol. IUPAC: 2-hexadecoxy-5-sulfobenzoic acid.
Chemical Property Profile of 2-Hexadecoxy-5-sulfobenzoic acid
Property Insights of 2-Hexadecoxy-5-sulfobenzoic acid
The XLogP value of 6.4916 indicates that 2-Hexadecoxy-5-sulfobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexadecoxy-5-sulfobenzoic acid. Following Lipinski's Rule of Five, 2-Hexadecoxy-5-sulfobenzoic acid has 2 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 2-Hexadecoxy-5-sulfobenzoic acid?
The CAS number of 2-Hexadecoxy-5-sulfobenzoic acid is 198971-81-2.
What is the molecular formula of 2-Hexadecoxy-5-sulfobenzoic acid?
The molecular formula of 2-Hexadecoxy-5-sulfobenzoic acid is C23H38O6S.
What is the molecular weight of 2-Hexadecoxy-5-sulfobenzoic acid?
The molecular weight of 2-Hexadecoxy-5-sulfobenzoic acid is 442.24 g/mol.
Where can I buy 2-Hexadecoxy-5-sulfobenzoic acid?
You can request a quote for 2-Hexadecoxy-5-sulfobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexadecoxy-5-sulfobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexadecoxy-5-sulfobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.