4-辛基苯磺酸
TL;DR: 4-辛基苯磺酸 (CAS 17012-98-5) is a chemical compound with molecular formula C14H22O3S and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-辛基苯磺酸
4-octylbenzenesulfonic acid
Also Known As: 4-Octylbenzenesulfonic acid, 1-(4-Sulfophenyl)octane, p-Octylbenzenesulfonic acid, Benzenesulfonic acid, 4-octyl-, starbld0016679
| Molecular Formula | C14H22O3S |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.12897 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 17012-98-5 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | MSOTUIWEAQEETA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-辛基苯磺酸 (CAS 17012-98-5), with molecular formula C14H22O3S and molecular weight 270.13 g/mol. IUPAC: 4-octylbenzenesulfonic acid.
Chemical Property Profile of 4-辛基苯磺酸
Property Insights of 4-辛基苯磺酸
The XLogP value of 4.8 indicates that 4-辛基苯磺酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-辛基苯磺酸. Following Lipinski's Rule of Five, 4-辛基苯磺酸 has 1 hydrogen bond donor(s) and 3 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 4-辛基苯磺酸?
The CAS number of 4-辛基苯磺酸 is 17012-98-5.
What is the molecular formula of 4-辛基苯磺酸?
The molecular formula of 4-辛基苯磺酸 is C14H22O3S.
What is the molecular weight of 4-辛基苯磺酸?
The molecular weight of 4-辛基苯磺酸 is 270.13 g/mol.
Where can I buy 4-辛基苯磺酸?
You can request a quote for 4-辛基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-辛基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-辛基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.