哌苯偶酯
TL;DR: 哌苯偶酯 (CAS 13473-38-6) is a chemical compound with molecular formula C22H28NO3+ and molecular weight 354.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
哌苯偶酯
(1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: pipenzolate, Pipenzolonum, Pipenzolate ion, Pipenzolate cation, PIPENZOLATE BROMIDE
| Molecular Formula | C22H28NO3+ |
|---|---|
| Molecular Weight | 354.21 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.2069 |
| Heavy Atoms | 26 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 13473-38-6 |
|---|---|
| SMILES | CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C |
| InChIKey | WPUKUEMZZRVAKZ-UHFFFAOYSA-N |
Product Overview
哌苯偶酯 (CAS 13473-38-6), with molecular formula C22H28NO3+ and molecular weight 354.21 g/mol. IUPAC: (1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 哌苯偶酯
Property Insights of 哌苯偶酯
The XLogP value of 3.6 indicates that 哌苯偶酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 哌苯偶酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 哌苯偶酯 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 哌苯偶酯?
The CAS number of 哌苯偶酯 is 13473-38-6.
What is the molecular formula of 哌苯偶酯?
The molecular formula of 哌苯偶酯 is C22H28NO3+.
What is the molecular weight of 哌苯偶酯?
The molecular weight of 哌苯偶酯 is 354.21 g/mol.
Where can I buy 哌苯偶酯?
You can request a quote for 哌苯偶酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 哌苯偶酯?
Yes, KEHONG BIO provides custom synthesis services for 哌苯偶酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.