Metilsulfato de tematropio
TL;DR: Metilsulfato de tematropio (CAS 113932-41-5) is a chemical compound with molecular formula C21H31NO8S and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-O-ethyl 2-phenylpropanedioate;methyl sulfate
Also Known As: Tematropium, Tematropium metilsulfate, TEMATROPIUM METHYLSULFATE, Tematropium metilsulphate, Tematropium methylsulphate
| Molecular Formula | C21H31NO8S |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.17703 |
| Heavy Atoms | 31 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 113932-41-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C.COS(=O)(=O)[O-] |
| InChIKey | YLMCBOIUJONUGH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metilsulfato de tematropio (CAS 113932-41-5), with molecular formula C21H31NO8S and molecular weight 457.18 g/mol. IUPAC: 1-O-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-O-ethyl 2-phenylpropanedioate;methyl sulfate.
Chemical Property Profile of Metilsulfato de tematropio
Property Insights of Metilsulfato de tematropio
The XLogP value of 1.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metilsulfato de tematropio. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Metilsulfato de tematropio. Following Lipinski's Rule of Five, Metilsulfato de tematropio has 0 hydrogen bond donor(s) and 8 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 Metilsulfato de tematropio?
The CAS number of Metilsulfato de tematropio is 113932-41-5.
What is the molecular formula of Metilsulfato de tematropio?
The molecular formula of Metilsulfato de tematropio is C21H31NO8S.
What is the molecular weight of Metilsulfato de tematropio?
The molecular weight of Metilsulfato de tematropio is 457.18 g/mol.
Where can I buy Metilsulfato de tematropio?
You can request a quote for Metilsulfato de tematropio directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metilsulfato de tematropio?
Yes, KEHONG BIO provides custom synthesis services for Metilsulfato de tematropio and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.