Pharmakon1600-01500354
TL;DR: Pharmakon1600-01500354 (CAS 66985-17-9) is a chemical compound with molecular formula C20H30BrNO3 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: ipratropium bromide, Atrovent, Ipratropium bromide hydrate, Sch 1000-Br-monohydrate, SPECTRUM1500354
| Molecular Formula | C20H30BrNO3 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | -0.1419 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1409 |
| Heavy Atoms | 25 |
| Complexity | 563.56384 |
Chemical Identifiers
| CAS Number | 66985-17-9 |
|---|---|
| SMILES | CC(C)[N+]1([C@@H]2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
Product Overview
Pharmakon1600-01500354 (CAS 66985-17-9), with molecular formula C20H30BrNO3 and molecular weight 411.14 g/mol. IUPAC: [(5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Pharmakon1600-01500354
Property Insights of Pharmakon1600-01500354
The XLogP value of -0.1419 indicates that Pharmakon1600-01500354 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.53 Ų, Pharmakon1600-01500354 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pharmakon1600-01500354 has 1 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 Pharmakon1600-01500354?
The CAS number of Pharmakon1600-01500354 is 66985-17-9.
What is the molecular formula of Pharmakon1600-01500354?
The molecular formula of Pharmakon1600-01500354 is C20H30BrNO3.
What is the molecular weight of Pharmakon1600-01500354?
The molecular weight of Pharmakon1600-01500354 is 411.14 g/mol.
Where can I buy Pharmakon1600-01500354?
You can request a quote for Pharmakon1600-01500354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pharmakon1600-01500354?
Yes, KEHONG BIO provides custom synthesis services for Pharmakon1600-01500354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.