Metoprolol Fumarate
TL;DR: Metoprolol Fumarate (CAS 79985-31-2) is a chemical compound with molecular formula C34H54N2O10 and molecular weight 650.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol)
Also Known As: Metoprolol fumarate, Lopressor, Lopresor OROS, Lopressor ORO, Lopressor (TN)
| Molecular Formula | C34H54N2O10 |
|---|---|
| Molecular Weight | 650.38 g/mol |
| LogP | 2.9382 |
| Topological Polar Surface Area | 176.04 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 650.37787 |
| Heavy Atoms | 46 |
| Complexity | 990.8417 |
Chemical Identifiers
| CAS Number | 79985-31-2 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Metoprolol Fumarate (CAS 79985-31-2), with molecular formula C34H54N2O10 and molecular weight 650.38 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol).
Chemical Property Profile of Metoprolol Fumarate
Property Insights of Metoprolol Fumarate
The XLogP value of 2.9382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metoprolol Fumarate. The TPSA of 176.04 Ų indicates high polarity, suggesting Metoprolol Fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Metoprolol Fumarate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Metoprolol Fumarate?
The CAS number of Metoprolol Fumarate is 79985-31-2.
What is the molecular formula of Metoprolol Fumarate?
The molecular formula of Metoprolol Fumarate is C34H54N2O10.
What is the molecular weight of Metoprolol Fumarate?
The molecular weight of Metoprolol Fumarate is 650.38 g/mol.
Where can I buy Metoprolol Fumarate?
You can request a quote for Metoprolol Fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metoprolol Fumarate?
Yes, KEHONG BIO provides custom synthesis services for Metoprolol Fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.