4-(1-Heptylnonyl)benzenesulfonic acid
TL;DR: 4-(1-Heptylnonyl)benzenesulfonic acid (CAS 80233-94-9) is a chemical compound with molecular formula C22H38O3S and molecular weight 382.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexadecan-8-ylbenzenesulfonic acid
Also Known As: 4-hexadecan-8-ylbenzenesulfonic Acid, 4-(1-Heptylnonyl)benzenesulfonic acid, 4-(Hexadecan-8-yl)benzene-1-sulfonic acid
| Molecular Formula | C22H38O3S |
|---|---|
| Molecular Weight | 382.25 g/mol |
| LogP | 7.128 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 382.25418 |
| Heavy Atoms | 26 |
| Complexity | 563.5551 |
Chemical Identifiers
| CAS Number | 80233-94-9 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCCC)C1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
4-(1-Heptylnonyl)benzenesulfonic acid (CAS 80233-94-9), with molecular formula C22H38O3S and molecular weight 382.25 g/mol. IUPAC: 4-hexadecan-8-ylbenzenesulfonic acid.
Chemical Property Profile of 4-(1-Heptylnonyl)benzenesulfonic acid
Property Insights of 4-(1-Heptylnonyl)benzenesulfonic acid
The XLogP value of 7.128 indicates that 4-(1-Heptylnonyl)benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(1-Heptylnonyl)benzenesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Heptylnonyl)benzenesulfonic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-Heptylnonyl)benzenesulfonic acid?
The CAS number of 4-(1-Heptylnonyl)benzenesulfonic acid is 80233-94-9.
What is the molecular formula of 4-(1-Heptylnonyl)benzenesulfonic acid?
The molecular formula of 4-(1-Heptylnonyl)benzenesulfonic acid is C22H38O3S.
What is the molecular weight of 4-(1-Heptylnonyl)benzenesulfonic acid?
The molecular weight of 4-(1-Heptylnonyl)benzenesulfonic acid is 382.25 g/mol.
Where can I buy 4-(1-Heptylnonyl)benzenesulfonic acid?
You can request a quote for 4-(1-Heptylnonyl)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Heptylnonyl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Heptylnonyl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.