N-Octylsulfobetaine
TL;DR: N-Octylsulfobetaine (CAS 15178-76-4) is a chemical compound with molecular formula C13H29NO3S and molecular weight 279.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate
Also Known As: N-Octylsulfobetaine, Octyl sulfobetaine, Sulfobetaine 8, Zwittergent 3-08, n-Octyl Sulfobetaine
| Molecular Formula | C13H29NO3S |
|---|---|
| Molecular Weight | 279.19 g/mol |
| LogP | 2.3586 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 279.18683 |
| Heavy Atoms | 18 |
| Complexity | 299.35822 |
Chemical Identifiers
| CAS Number | 15178-76-4 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
Product Overview
N-Octylsulfobetaine (CAS 15178-76-4), with molecular formula C13H29NO3S and molecular weight 279.19 g/mol. IUPAC: 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate.
Chemical Property Profile of N-Octylsulfobetaine
Property Insights of N-Octylsulfobetaine
The XLogP value of 2.3586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Octylsulfobetaine. With a topological polar surface area (TPSA) of 57.2 Ų, N-Octylsulfobetaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Octylsulfobetaine has 0 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 N-Octylsulfobetaine?
The CAS number of N-Octylsulfobetaine is 15178-76-4.
What is the molecular formula of N-Octylsulfobetaine?
The molecular formula of N-Octylsulfobetaine is C13H29NO3S.
What is the molecular weight of N-Octylsulfobetaine?
The molecular weight of N-Octylsulfobetaine is 279.19 g/mol.
Where can I buy N-Octylsulfobetaine?
You can request a quote for N-Octylsulfobetaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Octylsulfobetaine?
Yes, KEHONG BIO provides custom synthesis services for N-Octylsulfobetaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.