辛基三甲基溴化铵
TL;DR: 辛基三甲基溴化铵 (CAS 2083-68-3) is a chemical compound with molecular formula C11H26BrN and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛基三甲基溴化铵
trimethyl(octyl)azanium bromide
Also Known As: Octalone, n-Octyltrimethylammonium bromide, Trimethyloctylammonium bromide, Octyltrimethylammonium bromide, Cetrimide
| Molecular Formula | C11H26BrN |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 0.06 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.12486 |
| Heavy Atoms | 13 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2083-68-3 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)C.[Br-] |
| InChIKey | XCOHAFVJQZPUKF-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
辛基三甲基溴化铵 (CAS 2083-68-3), with molecular formula C11H26BrN and molecular weight 251.12 g/mol. IUPAC: trimethyl(octyl)azanium bromide.
Chemical Property Profile of 辛基三甲基溴化铵
Property Insights of 辛基三甲基溴化铵
The XLogP value of 0.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 辛基三甲基溴化铵. With a topological polar surface area (TPSA) of 0.0 Ų, 辛基三甲基溴化铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛基三甲基溴化铵 has 0 hydrogen bond donor(s) and 1 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 辛基三甲基溴化铵?
The CAS number of 辛基三甲基溴化铵 is 2083-68-3.
What is the molecular formula of 辛基三甲基溴化铵?
The molecular formula of 辛基三甲基溴化铵 is C11H26BrN.
What is the molecular weight of 辛基三甲基溴化铵?
The molecular weight of 辛基三甲基溴化铵 is 251.12 g/mol.
Where can I buy 辛基三甲基溴化铵?
You can request a quote for 辛基三甲基溴化铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛基三甲基溴化铵?
Yes, KEHONG BIO provides custom synthesis services for 辛基三甲基溴化铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.