Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate
TL;DR: Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate (CAS 29125-67-5) is a chemical compound with molecular formula C25H30BrNO3 and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate bromide
Also Known As: 1-Butyl-3-(9-xanthenylcarboxy)quinuclidinium bromide, 1-Butyl-3-hydroxyquinuclidinium bromide xanthene-9-carboxylate, Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate, (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate bromide, 1-Butyl-3-[(9H-xanthene-9-carbonyl)oxy]-1-azabicyclo[2.2.2]octan-1-ium bromide
| Molecular Formula | C25H30BrNO3 |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 1.8805 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.1409 |
| Heavy Atoms | 30 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 29125-67-5 |
|---|---|
| SMILES | CCCC[N+]12CCC(CC1)C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35.[Br-] |
| InChIKey | YVIVBMHZSGPWKQ-UHFFFAOYSA-M |
Product Overview
Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate (CAS 29125-67-5), with molecular formula C25H30BrNO3 and molecular weight 471.14 g/mol. IUPAC: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) 9H-xanthene-9-carboxylate bromide.
Chemical Property Profile of Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate
Property Insights of Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate
The XLogP value of 1.8805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate. With a topological polar surface area (TPSA) of 35.5 Ų, Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate has 0 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 Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate?
The CAS number of Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate is 29125-67-5.
What is the molecular formula of Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate?
The molecular formula of Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate is C25H30BrNO3.
What is the molecular weight of Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate?
The molecular weight of Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate is 471.14 g/mol.
Where can I buy Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate?
You can request a quote for Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.