壬酸 4-磺基苯酯
TL;DR: 壬酸 4-磺基苯酯 (CAS 102568-16-1) is a chemical compound with molecular formula C15H22O5S and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
壬酸 4-磺基苯酯
4-nonanoyloxybenzenesulfonic acid
Also Known As: 4-Sulfophenyl nonanoate, nonanoyloxyphenylsulfonate, nonanoyloxyphenylsulphonate, p-nonanoyloxybenzenesulfonate, 4-nonanoyloxybenzenesulfonate
| Molecular Formula | C15H22O5S |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.1188 |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 102568-16-1 |
|---|---|
| SMILES | CCCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | VNEUMNOZRFLRPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
壬酸 4-磺基苯酯 (CAS 102568-16-1), with molecular formula C15H22O5S and molecular weight 314.12 g/mol. IUPAC: 4-nonanoyloxybenzenesulfonic acid.
Chemical Property Profile of 壬酸 4-磺基苯酯
Property Insights of 壬酸 4-磺基苯酯
The XLogP value of 4.0 indicates that 壬酸 4-磺基苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 壬酸 4-磺基苯酯. Following Lipinski's Rule of Five, 壬酸 4-磺基苯酯 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 壬酸 4-磺基苯酯?
The CAS number of 壬酸 4-磺基苯酯 is 102568-16-1.
What is the molecular formula of 壬酸 4-磺基苯酯?
The molecular formula of 壬酸 4-磺基苯酯 is C15H22O5S.
What is the molecular weight of 壬酸 4-磺基苯酯?
The molecular weight of 壬酸 4-磺基苯酯 is 314.12 g/mol.
Where can I buy 壬酸 4-磺基苯酯?
You can request a quote for 壬酸 4-磺基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 壬酸 4-磺基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 壬酸 4-磺基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.