RefChem:227761
TL;DR: RefChem:227761 (CAS 73680-93-0) is a chemical compound with molecular formula C21H26BrNO3S and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide
Also Known As: 1-Azabicyclo(3.3.1)nonanyl phenyl-2-thienylglycolate methobromide, 1-Azoniabicyclo(3.3.1)nonan-3-ol, 1-methyl-, alpha-phenyl-2-thienylglycolate, bromide, 1-Azoniabicyclo[3.3.1]nonane, 3-[(hydroxyphenyl-2-thienylacetyl)oxy]-1-methyl-, bromide, (1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide, 3-{[Hydroxy(phenyl)(thiophen-2-yl)acetyl]oxy}-1-methyl-1-azabicyclo[3.3.1]nonan-1-ium bromide
| Molecular Formula | C21H26BrNO3S |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 0.16 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.08167 |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 73680-93-0 |
|---|---|
| SMILES | C[N+]12CCCC(C1)CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O.[Br-] |
| InChIKey | VFZPNJZREMPLCL-UHFFFAOYSA-M |
Product Overview
RefChem:227761 (CAS 73680-93-0), with molecular formula C21H26BrNO3S and molecular weight 451.08 g/mol. IUPAC: (1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide.
Chemical Property Profile of RefChem:227761
Property Insights of RefChem:227761
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:227761. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:227761. Following Lipinski's Rule of Five, RefChem:227761 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 RefChem:227761?
The CAS number of RefChem:227761 is 73680-93-0.
What is the molecular formula of RefChem:227761?
The molecular formula of RefChem:227761 is C21H26BrNO3S.
What is the molecular weight of RefChem:227761?
The molecular weight of RefChem:227761 is 451.08 g/mol.
Where can I buy RefChem:227761?
You can request a quote for RefChem:227761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.