Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate
TL;DR: Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate (CAS 291273-64-8) is a chemical compound with molecular formula C23H26BrNO2 and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9,10-dihydroanthracene-9-carboxylate bromide
Also Known As: 3-Hydroxy-1-methylquinuclidinium bromide 9,10-dihydro-9-anthroate, 9,10-dihydroanthracene-9-carboxylatebromide, 3-(9,10-Dihydro-9-anthracenylcarboxy)quinuclidine methobromide, 1-Methyl-3-(9,10-dihydro-9-anthracenylcarboxy)quinuclidinium bromide, Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate
| Molecular Formula | C23H26BrNO2 |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 0.5087 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.1147 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 291273-64-8 |
|---|---|
| SMILES | C[N+]12CCC(CC1)C(C2)OC(=O)C3C4=CC=CC=C4CC5=CC=CC=C35.[Br-] |
| InChIKey | UUUUZUGCBFLANF-UHFFFAOYSA-M |
Product Overview
Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate (CAS 291273-64-8), with molecular formula C23H26BrNO2 and molecular weight 427.11 g/mol. IUPAC: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9,10-dihydroanthracene-9-carboxylate bromide.
Chemical Property Profile of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate
Property Insights of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate
The XLogP value of 0.5087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate. With a topological polar surface area (TPSA) of 26.3 Ų, Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate has 0 hydrogen bond donor(s) and 3 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 Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate?
The CAS number of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate is 291273-64-8.
What is the molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate?
The molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate is C23H26BrNO2.
What is the molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate?
The molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate is 427.11 g/mol.
Where can I buy Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate?
You can request a quote for Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinium, 3-hydroxy-1-methyl-, bromide, 9,10-dihydro-9-anthroate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.