Tipetropium bromide
TL;DR: Tipetropium bromide (CAS 54376-91-9) is a chemical compound with molecular formula C25H32BrNOS and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Tipetropium bromide
3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octane bromide
Also Known As: Tipetropium bromide, 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octane bromide, 3-[(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)oxy]-8-methyl-8-propyl-8-azabicyclo[3.2.1]octan-8-ium bromide
| Molecular Formula | C25H32BrNOS |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 2.9523 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.1388 |
| Heavy Atoms | 29 |
| Complexity | 794.7219 |
Chemical Identifiers
| CAS Number | 54376-91-9 |
|---|---|
| SMILES | CCC[N+]1(C2CCC1CC(C2)OC3C4=CC=CC=C4CSC5=CC=CC=C35)C.[Br-] |
Product Overview
Tipetropium bromide (CAS 54376-91-9), with molecular formula C25H32BrNOS and molecular weight 473.14 g/mol. IUPAC: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octane bromide.
Chemical Property Profile of Tipetropium bromide
Property Insights of Tipetropium bromide
The XLogP value of 2.9523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tipetropium bromide. With a topological polar surface area (TPSA) of 9.23 Ų, Tipetropium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tipetropium bromide has 0 hydrogen bond donor(s) and 2 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 Tipetropium bromide?
The CAS number of Tipetropium bromide is 54376-91-9.
What is the molecular formula of Tipetropium bromide?
The molecular formula of Tipetropium bromide is C25H32BrNOS.
What is the molecular weight of Tipetropium bromide?
The molecular weight of Tipetropium bromide is 473.14 g/mol.
Where can I buy Tipetropium bromide?
You can request a quote for Tipetropium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tipetropium bromide?
Yes, KEHONG BIO provides custom synthesis services for Tipetropium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.