溴哌苯酯
TL;DR: 溴哌苯酯 (CAS 125-51-9) is a chemical compound with molecular formula C22H28BrNO3 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴哌苯酯
(1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: PIPENZOLATE BROMIDE, Piptal, Piptalake, piper, Piptil
| Molecular Formula | C22H28BrNO3 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 0.0986 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.12527 |
| Heavy Atoms | 27 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 125-51-9 |
|---|---|
| SMILES | CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-] |
| InChIKey | XEDCWWFPZMHXCM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴哌苯酯 (CAS 125-51-9), with molecular formula C22H28BrNO3 and molecular weight 433.13 g/mol. IUPAC: (1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide.
Chemical Property Profile of 溴哌苯酯
Property Insights of 溴哌苯酯
The XLogP value of 0.0986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴哌苯酯. With a topological polar surface area (TPSA) of 46.5 Ų, 溴哌苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴哌苯酯 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 溴哌苯酯?
The CAS number of 溴哌苯酯 is 125-51-9.
What is the molecular formula of 溴哌苯酯?
The molecular formula of 溴哌苯酯 is C22H28BrNO3.
What is the molecular weight of 溴哌苯酯?
The molecular weight of 溴哌苯酯 is 433.13 g/mol.
Where can I buy 溴哌苯酯?
You can request a quote for 溴哌苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴哌苯酯?
Yes, KEHONG BIO provides custom synthesis services for 溴哌苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.