喷哌溴铵甲硫酸盐
TL;DR: 喷哌溴铵甲硫酸盐 (CAS 7681-80-3) is a chemical compound with molecular formula C20H33NO6S and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
喷哌溴铵甲硫酸盐
(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate;methyl sulfate
Also Known As: Pentapiperium methylsulfate, Hycholin, Quilene, Pentapiperium metilsulfate, Pentapiperii metilsulfas
| Molecular Formula | C20H33NO6S |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 2.69 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.20285 |
| Heavy Atoms | 28 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 7681-80-3 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.COS(=O)(=O)[O-] |
| InChIKey | YGURFDXYQNOJCS-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
喷哌溴铵甲硫酸盐 (CAS 7681-80-3), with molecular formula C20H33NO6S and molecular weight 415.20 g/mol. IUPAC: (1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate;methyl sulfate.
Chemical Property Profile of 喷哌溴铵甲硫酸盐
Property Insights of 喷哌溴铵甲硫酸盐
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 喷哌溴铵甲硫酸盐. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 喷哌溴铵甲硫酸盐. Following Lipinski's Rule of Five, 喷哌溴铵甲硫酸盐 has 0 hydrogen bond donor(s) and 6 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 喷哌溴铵甲硫酸盐?
The CAS number of 喷哌溴铵甲硫酸盐 is 7681-80-3.
What is the molecular formula of 喷哌溴铵甲硫酸盐?
The molecular formula of 喷哌溴铵甲硫酸盐 is C20H33NO6S.
What is the molecular weight of 喷哌溴铵甲硫酸盐?
The molecular weight of 喷哌溴铵甲硫酸盐 is 415.20 g/mol.
Where can I buy 喷哌溴铵甲硫酸盐?
You can request a quote for 喷哌溴铵甲硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 喷哌溴铵甲硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 喷哌溴铵甲硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.