3-十二烷基苯-1-磺酸
TL;DR: 3-十二烷基苯-1-磺酸 (CAS 16577-13-2) is a chemical compound with molecular formula C18H30O3S and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-十二烷基苯-1-磺酸
3-dodecylbenzenesulfonic acid
Also Known As: 3-DODECYLBENZENESULFONIC ACID, 3-Dodecylbenzene-1-sulfonic acid, m-dodecylbenzenesulfonic acid, RefChem:1067695
| Molecular Formula | C18H30O3S |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 326.19156 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 16577-13-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O |
| InChIKey | HRPQWSOMACYCRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-十二烷基苯-1-磺酸 (CAS 16577-13-2), with molecular formula C18H30O3S and molecular weight 326.19 g/mol. IUPAC: 3-dodecylbenzenesulfonic acid.
Chemical Property Profile of 3-十二烷基苯-1-磺酸
Property Insights of 3-十二烷基苯-1-磺酸
The XLogP value of 6.9 indicates that 3-十二烷基苯-1-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 3-十二烷基苯-1-磺酸. Following Lipinski's Rule of Five, 3-十二烷基苯-1-磺酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-十二烷基苯-1-磺酸?
The CAS number of 3-十二烷基苯-1-磺酸 is 16577-13-2.
What is the molecular formula of 3-十二烷基苯-1-磺酸?
The molecular formula of 3-十二烷基苯-1-磺酸 is C18H30O3S.
What is the molecular weight of 3-十二烷基苯-1-磺酸?
The molecular weight of 3-十二烷基苯-1-磺酸 is 326.19 g/mol.
Where can I buy 3-十二烷基苯-1-磺酸?
You can request a quote for 3-十二烷基苯-1-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-十二烷基苯-1-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-十二烷基苯-1-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.