Butropium
TL;DR: Butropium (CAS 107080-63-7) is a chemical compound with molecular formula C28H38NO4+ and molecular weight 452.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Also Known As: Butropium, Coliopan, Butropium ion, Butropium cation, butropium bromide
| Molecular Formula | C28H38NO4+ |
|---|---|
| Molecular Weight | 452.28 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 452.2801 |
| Heavy Atoms | 33 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 107080-63-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)[C@H](CO)C4=CC=CC=C4)C |
| InChIKey | ALVDDLOWVXJXCD-SPRJYOCZSA-N |
Product Overview
Butropium (CAS 107080-63-7), with molecular formula C28H38NO4+ and molecular weight 452.28 g/mol. IUPAC: [(1S,5R)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of Butropium
Property Insights of Butropium
The XLogP value of 5.0 indicates that Butropium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Butropium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butropium has 1 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 Butropium?
The CAS number of Butropium is 107080-63-7.
What is the molecular formula of Butropium?
The molecular formula of Butropium is C28H38NO4+.
What is the molecular weight of Butropium?
The molecular weight of Butropium is 452.28 g/mol.
Where can I buy Butropium?
You can request a quote for Butropium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butropium?
Yes, KEHONG BIO provides custom synthesis services for Butropium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.