(+/-)-Bisoprolol hemifumarate
TL;DR: (+/-)-Bisoprolol hemifumarate (CAS 104344-23-2) is a chemical compound with molecular formula C40H66N2O12 and molecular weight 766.46155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;bis(1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol)
Also Known As: Bisoprolol fumarate, Zebeta, Bisobloc, Bisomerck, Detensiel
Technical Specifications
| Molecular Formula | C40H66N2O12 |
| Molecular Weight | 766.46155 g/mol |
| XLogP | 4.44 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Exact Mass | 766.46155 Da |
| Heavy Atoms | 54 |
| Complexity | 397.0 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.C(=CC(=O)O)C(=O)O |
| InChIKey | VMDFASMUILANOL-UHFFFAOYSA-N |
Chemical Property Profile of (+/-)-Bisoprolol hemifumarate
Property Insights of (+/-)-Bisoprolol hemifumarate
The XLogP value of 4.44 indicates that (+/-)-Bisoprolol hemifumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting (+/-)-Bisoprolol hemifumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (+/-)-Bisoprolol hemifumarate has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (+/-)-Bisoprolol hemifumarate?
The CAS number of (+/-)-Bisoprolol hemifumarate is 104344-23-2.
What is the molecular formula of (+/-)-Bisoprolol hemifumarate?
The molecular formula of (+/-)-Bisoprolol hemifumarate is C40H66N2O12.
What is the molecular weight of (+/-)-Bisoprolol hemifumarate?
The molecular weight of (+/-)-Bisoprolol hemifumarate is 766.46155 g/mol.
Where can I buy (+/-)-Bisoprolol hemifumarate?
You can request a quote for (+/-)-Bisoprolol hemifumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+/-)-Bisoprolol hemifumarate?
Yes, CoreyChem provides custom synthesis services for (+/-)-Bisoprolol hemifumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.