![3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate structure](/static/products/2166/216667-49-1.webp)
3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate
TL;DR: 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate (CAS 216667-49-1) is a chemical compound with molecular formula C23H40N2O4S and molecular weight 440.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate
Also Known As: C80 Detergent, ASB-C80, 4-n-Octylbenzoylamido-propyl-dimethylammoniosulfobetaine, 4-Octylbenzoylamido-propyl-dimethylammoniosulfobetaine, HY-W699042
| Molecular Formula | C23H40N2O4S |
|---|---|
| Molecular Weight | 440.27 g/mol |
| LogP | 3.7212 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 440.27087 |
| Heavy Atoms | 30 |
| Complexity | 715.2236 |
Chemical Identifiers
| CAS Number | 216667-49-1 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
Product Overview
3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate (CAS 216667-49-1), with molecular formula C23H40N2O4S and molecular weight 440.27 g/mol. IUPAC: 3-[dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate.
Chemical Property Profile of 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate
Property Insights of 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate
The XLogP value of 3.7212 indicates that 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate. Following Lipinski's Rule of Five, 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate has 1 hydrogen bond donor(s) and 4 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 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate?
The CAS number of 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate is 216667-49-1.
What is the molecular formula of 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate?
The molecular formula of 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate is C23H40N2O4S.
What is the molecular weight of 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate?
The molecular weight of 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate is 440.27 g/mol.
Where can I buy 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate?
You can request a quote for 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[Dimethyl-[3-[(4-octylbenzoyl)amino]propyl]azaniumyl]propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.