S-Metoprolol sorbate
TL;DR: S-Metoprolol sorbate (CAS 111337-50-9) is a chemical compound with molecular formula C21H33NO5 and molecular weight 379.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-2,4-dienoic acid;(2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Also Known As: S-Metoprolol sorbate, (2E,4E)-hexa-2,4-dienoic Acid; (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
| Molecular Formula | C21H33NO5 |
|---|---|
| Molecular Weight | 379.24 g/mol |
| LogP | 2.8165 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 379.23587 |
| Heavy Atoms | 27 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 111337-50-9 |
|---|---|
| SMILES | CC=CC=CC(=O)O.CC(C)NC[C@@H](COC1=CC=C(C=C1)CCOC)O |
| InChIKey | DDMRAMQZWNVBGH-UQKRIMTDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Metoprolol sorbate (CAS 111337-50-9), with molecular formula C21H33NO5 and molecular weight 379.24 g/mol. IUPAC: hexa-2,4-dienoic acid;(2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
Chemical Property Profile of S-Metoprolol sorbate
Property Insights of S-Metoprolol sorbate
The XLogP value of 2.8165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Metoprolol sorbate. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Metoprolol sorbate. Following Lipinski's Rule of Five, S-Metoprolol sorbate has 3 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 S-Metoprolol sorbate?
The CAS number of S-Metoprolol sorbate is 111337-50-9.
What is the molecular formula of S-Metoprolol sorbate?
The molecular formula of S-Metoprolol sorbate is C21H33NO5.
What is the molecular weight of S-Metoprolol sorbate?
The molecular weight of S-Metoprolol sorbate is 379.24 g/mol.
Where can I buy S-Metoprolol sorbate?
You can request a quote for S-Metoprolol sorbate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Metoprolol sorbate?
Yes, KEHONG BIO provides custom synthesis services for S-Metoprolol sorbate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.