Octibenzonium bromide
TL;DR: Octibenzonium bromide (CAS 2019-14-9) is a chemical compound with molecular formula C26H38BrNO3 and molecular weight 491.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Octibenzonium bromide
2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-octylazanium bromide
Also Known As: octibenzonium bromide, (2-Benziloxyethyl)dimethyloctylammonium bromide, Dimethyl(2-hydroxyethyl)octylammonium bromide benzilate, OCTIBENZONIUM BROMIDE [WHO-DD], Ammonium, dimethyl(2-hydroxyethyl)octyl-, bromide, benzilate
| Molecular Formula | C26H38BrNO3 |
|---|---|
| Molecular Weight | 491.20 g/mol |
| LogP | 1.91 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 491.20352 |
| Heavy Atoms | 31 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 2019-14-9 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | JVFBRWHIOQXBFW-UHFFFAOYSA-M |
Product Overview
Octibenzonium bromide (CAS 2019-14-9), with molecular formula C26H38BrNO3 and molecular weight 491.20 g/mol. IUPAC: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-octylazanium bromide.
Chemical Property Profile of Octibenzonium bromide
Property Insights of Octibenzonium bromide
The XLogP value of 1.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octibenzonium bromide. With a topological polar surface area (TPSA) of 46.5 Ų, Octibenzonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octibenzonium bromide 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 Octibenzonium bromide?
The CAS number of Octibenzonium bromide is 2019-14-9.
What is the molecular formula of Octibenzonium bromide?
The molecular formula of Octibenzonium bromide is C26H38BrNO3.
What is the molecular weight of Octibenzonium bromide?
The molecular weight of Octibenzonium bromide is 491.20 g/mol.
Where can I buy Octibenzonium bromide?
You can request a quote for Octibenzonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octibenzonium bromide?
Yes, KEHONG BIO provides custom synthesis services for Octibenzonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.