辛酸4-磺酸苯酯
TL;DR: 辛酸4-磺酸苯酯 (CAS 101615-66-1) is a chemical compound with molecular formula C14H20O5S and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛酸4-磺酸苯酯
4-octanoyloxybenzenesulfonic acid
Also Known As: 4-octanoyloxybenzenesulfonic Acid, Octanoic acid, 4-sulfophenyl ester, 4-(octanoyloxy)benzenesulfonic acid, 4-(Octanoyloxy)benzene-1-sulfonic acid
| Molecular Formula | C14H20O5S |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 300.10315 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 101615-66-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | KHNBMTJPINZOSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛酸4-磺酸苯酯 (CAS 101615-66-1), with molecular formula C14H20O5S and molecular weight 300.10 g/mol. IUPAC: 4-octanoyloxybenzenesulfonic acid.
Chemical Property Profile of 辛酸4-磺酸苯酯
Property Insights of 辛酸4-磺酸苯酯
The XLogP value of 3.4 indicates that 辛酸4-磺酸苯酯 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 辛酸4-磺酸苯酯. Following Lipinski's Rule of Five, 辛酸4-磺酸苯酯 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 辛酸4-磺酸苯酯?
The CAS number of 辛酸4-磺酸苯酯 is 101615-66-1.
What is the molecular formula of 辛酸4-磺酸苯酯?
The molecular formula of 辛酸4-磺酸苯酯 is C14H20O5S.
What is the molecular weight of 辛酸4-磺酸苯酯?
The molecular weight of 辛酸4-磺酸苯酯 is 300.10 g/mol.
Where can I buy 辛酸4-磺酸苯酯?
You can request a quote for 辛酸4-磺酸苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛酸4-磺酸苯酯?
Yes, KEHONG BIO provides custom synthesis services for 辛酸4-磺酸苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.