哌乙醇乙氧溴化物
TL;DR: 哌乙醇乙氧溴化物 (CAS 23766-28-1) is a chemical compound with molecular formula C23H30BrNO3 and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
哌乙醇乙氧溴化物
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: Pipethanate ethylbromide, Panpurol, pipethanate ethobromide, Panpurol (TN), PIPERILATE ETHOBROMIDE
| Molecular Formula | C23H30BrNO3 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 0.4903 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.1409 |
| Heavy Atoms | 28 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 23766-28-1 |
|---|---|
| SMILES | CC[N+]1(CCCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Br-] |
| InChIKey | VPUGSHLBERYQGC-UHFFFAOYSA-M |
Product Overview
哌乙醇乙氧溴化物 (CAS 23766-28-1), with molecular formula C23H30BrNO3 and molecular weight 447.14 g/mol. IUPAC: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate bromide.
Chemical Property Profile of 哌乙醇乙氧溴化物
Property Insights of 哌乙醇乙氧溴化物
The XLogP value of 0.4903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 哌乙醇乙氧溴化物. With a topological polar surface area (TPSA) of 46.5 Ų, 哌乙醇乙氧溴化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 哌乙醇乙氧溴化物 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 哌乙醇乙氧溴化物?
The CAS number of 哌乙醇乙氧溴化物 is 23766-28-1.
What is the molecular formula of 哌乙醇乙氧溴化物?
The molecular formula of 哌乙醇乙氧溴化物 is C23H30BrNO3.
What is the molecular weight of 哌乙醇乙氧溴化物?
The molecular weight of 哌乙醇乙氧溴化物 is 447.14 g/mol.
Where can I buy 哌乙醇乙氧溴化物?
You can request a quote for 哌乙醇乙氧溴化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 哌乙醇乙氧溴化物?
Yes, KEHONG BIO provides custom synthesis services for 哌乙醇乙氧溴化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.