Oxitefonium Bromide
TL;DR: Oxitefonium Bromide (CAS 17692-63-6) is a chemical compound with molecular formula C19H26BrNO3S and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Oxitefonium Bromide
diethyl-[2-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)oxyethyl]-methylazanium bromide
Also Known As: Oxitefonium Bromide, Nibitor, Oxitefonium, Oxitefonii bromidum, Bromure d'oxitefonium
| Molecular Formula | C19H26BrNO3S |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 0.02 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.08167 |
| Heavy Atoms | 25 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 17692-63-6 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.[Br-] |
| InChIKey | QTBFZNSOXHKZOD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxitefonium Bromide (CAS 17692-63-6), with molecular formula C19H26BrNO3S and molecular weight 427.08 g/mol. IUPAC: diethyl-[2-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)oxyethyl]-methylazanium bromide.
Chemical Property Profile of Oxitefonium Bromide
Property Insights of Oxitefonium Bromide
The XLogP value of 0.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxitefonium Bromide. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxitefonium Bromide. Following Lipinski's Rule of Five, Oxitefonium Bromide has 1 hydrogen bond donor(s) and 5 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 Oxitefonium Bromide?
The CAS number of Oxitefonium Bromide is 17692-63-6.
What is the molecular formula of Oxitefonium Bromide?
The molecular formula of Oxitefonium Bromide is C19H26BrNO3S.
What is the molecular weight of Oxitefonium Bromide?
The molecular weight of Oxitefonium Bromide is 427.08 g/mol.
Where can I buy Oxitefonium Bromide?
You can request a quote for Oxitefonium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxitefonium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Oxitefonium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.