奥替溴铵
TL;DR: 奥替溴铵 (CAS 26095-59-0) is a chemical compound with molecular formula C29H43BrN2O4 and molecular weight 562.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥替溴铵
diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
Also Known As: Otilonium Bromide, Octylonium bromide, Octylonium, Spasmomen, Doralin
| Molecular Formula | C29H43BrN2O4 |
|---|---|
| Molecular Weight | 562.24 g/mol |
| LogP | 3.33 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 562.2406 |
| Heavy Atoms | 36 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 26095-59-0 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[Br-] |
| InChIKey | VWZPIJGXYWHBOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥替溴铵 (CAS 26095-59-0), with molecular formula C29H43BrN2O4 and molecular weight 562.24 g/mol. IUPAC: diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide.
Chemical Property Profile of 奥替溴铵
Property Insights of 奥替溴铵
The XLogP value of 3.33 indicates that 奥替溴铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 奥替溴铵. Following Lipinski's Rule of Five, 奥替溴铵 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 奥替溴铵?
The CAS number of 奥替溴铵 is 26095-59-0.
What is the molecular formula of 奥替溴铵?
The molecular formula of 奥替溴铵 is C29H43BrN2O4.
What is the molecular weight of 奥替溴铵?
The molecular weight of 奥替溴铵 is 562.24 g/mol.
Where can I buy 奥替溴铵?
You can request a quote for 奥替溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥替溴铵?
Yes, KEHONG BIO provides custom synthesis services for 奥替溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.